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httk 1.2.0.dev36+gcea9c9b documentation
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K
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M
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Z
A
abstract_formula() (in module httk.atomistic.structureutils)
abstract_symbol() (in module httk.atomistic.sitesutils)
(in module httk.atomistic.structureutils)
acos() (httk.core.vectors.fracvector.FracVector method)
(httk.FracVector method)
(in module httk.core.vectors.vectormath)
acosh() (in module httk.core.vectors.vectormath)
add() (httk.db.filteredcollection.FCMultiDict method)
(httk.db.filteredcollection.FilteredCollection method)
add_all() (httk.db.filteredcollection.FilteredCollection method)
add_ext_citation() (in module httk.core.citation)
add_name() (httk.atomistic.Compound method)
(httk.atomistic.compound.Compound method)
add_names() (httk.atomistic.Compound method)
(httk.atomistic.compound.Compound method)
add_offset() (httk.db.filteredcollection.FilteredCollection method)
add_phase() (httk.analysis.matsci.phasediagram.PhaseDiagram method)
add_project() (httk.Computation method)
(httk.core.computation.Computation method)
add_projects() (httk.Computation method)
(httk.core.computation.Computation method)
add_ref() (httk.atomistic.Compound method)
(httk.Code method)
(httk.Computation method)
(httk.Project method)
(httk.atomistic.Structure method)
(httk.atomistic.compound.Compound method)
(httk.atomistic.structure.Structure method)
(httk.core.code.Code method)
(httk.core.computation.Computation method)
(httk.core.project.Project method)
add_refs() (httk.atomistic.Compound method)
(httk.Code method)
(httk.Computation method)
(httk.Project method)
(httk.atomistic.Structure method)
(httk.atomistic.compound.Compound method)
(httk.atomistic.structure.Structure method)
(httk.core.code.Code method)
(httk.core.computation.Computation method)
(httk.core.project.Project method)
add_sort() (httk.db.filteredcollection.FilteredCollection method)
add_src_citation() (in module httk.core.citation)
add_tag() (httk.atomistic.Compound method)
(httk.Code method)
(httk.Computation method)
(httk.Project method)
(httk.atomistic.Structure method)
(httk.atomistic.compound.Compound method)
(httk.atomistic.structure.Structure method)
(httk.core.code.Code method)
(httk.core.computation.Computation method)
(httk.core.project.Project method)
add_tags() (httk.atomistic.Compound method)
(httk.Code method)
(httk.Computation method)
(httk.Project method)
(httk.atomistic.Structure method)
(httk.atomistic.compound.Compound method)
(httk.atomistic.structure.Structure method)
(httk.core.code.Code method)
(httk.core.computation.Computation method)
(httk.core.project.Project method)
added_date (httk.Computation attribute)
(httk.core.computation.Computation attribute)
addsym() (in module httk.external.platon_ext)
addsym_spacegroup() (in module httk.external.platon_ext)
adornment_chars (httk.httkweb.render_httk.RenderHttk attribute)
aflow() (in module httk.external.aflow_ext)
alter() (httk.db.backend.sqlite.Sqlite method)
analysis() (in module httk.external.pyspglib_ext)
angles_to_cosangles() (in module httk.atomistic.cellutils)
anonymous_formula (httk.atomistic.Compound attribute)
(httk.atomistic.Structure attribute)
(httk.atomistic.compound.Compound attribute)
(httk.atomistic.sites.Sites attribute)
(httk.atomistic.structure.Structure attribute)
anonymous_formula() (in module httk.atomistic.sitesutils)
anonymous_symbol_to_int() (in module httk.core.basic)
anonymous_wyckoff_sequence (httk.atomistic.Compound attribute)
(httk.atomistic.RepresentativeSites attribute)
(httk.atomistic.Structure attribute)
(httk.atomistic.compound.Compound attribute)
(httk.atomistic.representativesites.RepresentativeSites attribute)
(httk.atomistic.structure.Structure attribute)
any_to_fraction() (in module httk.core.vectors.fracmath)
apply() (httk.httkweb.templateengine_httk.TemplateEngineHttk method)
(httk.httkweb.templateengine_templator.TemplateEngineTemplator method)
apply_template() (in module httk.core.template)
apply_templates() (in module httk.core.template)
argmax() (httk.core.vectors.fracvector.FracVector method)
(httk.FracVector method)
argmin() (httk.core.vectors.fracvector.FracVector method)
(httk.FracVector method)
ase_atoms_to_structure() (in module httk.external.ase_glue)
ase_read_structure() (in module httk.external.ase_glue)
ase_write_struct() (in module httk.external.ase_glue)
AseStructureVisualizer (class in httk.atomistic.vis.asestructurevisualizer)
asin() (httk.core.vectors.fracvector.FracVector method)
(httk.FracVector method)
(in module httk.core.vectors.vectormath)
asinh() (in module httk.core.vectors.vectormath)
Assignment (class in httk.atomistic.assignment)
Assignments (class in httk.atomistic)
(class in httk.atomistic.assignments)
atan() (in module httk.core.vectors.vectormath)
atan2() (in module httk.core.vectors.vectormath)
atanh() (in module httk.core.vectors.vectormath)
atomic_number (httk.atomistic.siteassignment.SiteAssignment attribute)
atomic_number() (in module httk.atomistic.data.periodictable)
atomic_number_isotope() (in module httk.atomistic.data.periodictable)
atomic_numbers (httk.atomistic.Assignments attribute)
(httk.atomistic.assignments.Assignments attribute)
(httk.atomistic.siteassignment.SiteAssignment attribute)
atomic_symbol() (in module httk.atomistic.data.periodictable)
Author (class in httk)
(class in httk.core.reference)
B
basics (httk.db.store.dictstore.DictStore attribute)
(httk.db.store.sqlstore.SqlStore attribute)
basis (httk.atomistic.cellshape.CellShape attribute)
basis_determinant() (in module httk.atomistic.cellutils)
(in module httk.atomistic.structureutils)
basis_scale_to_vol() (in module httk.atomistic.structureutils)
basis_to_niggli() (in module httk.atomistic.structureutils)
basis_to_niggli_and_orientation() (in module httk.atomistic.cellutils)
basis_vol_to_scale() (in module httk.atomistic.structureutils)
best_rational_in_interval() (in module httk.core.vectors.fracmath)
BinaryBooleanOp (class in httk.db.filteredcollection)
BinaryComparison (class in httk.db.filteredcollection)
BinaryOp (class in httk.db.filteredcollection)
bit() (in module httk.core.ed25519)
bonds() (httk.atomistic.vis.jmolstructurevisualizer.JmolStructureVisualizer method)
breath_first_idxs() (in module httk.core.basic)
build_cubic_supercell() (in module httk.atomistic.supercellutils)
build_ls() (in module httk.core.miniparser)
build_orthogonal_supercell() (in module httk.atomistic.supercellutils)
build_supercell_old() (in module httk.atomistic.supercellutils)
bullet_item_markers (httk.httkweb.render_httk.RenderHttk attribute)
C
calculate_kpoints() (in module httk.iface.vasp_if)
cartesian_to_reduced() (in module httk.atomistic.structureutils)
cc (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
cc_formula_parts (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
ceil() (httk.core.vectors.fracvector.FracVector method)
(httk.FracVector method)
(in module httk.core.vectors.vectormath)
Cell (class in httk.atomistic)
(class in httk.atomistic.cell)
cell_to_basis() (in module httk.atomistic.cellutils)
CellShape (class in httk.atomistic.cellshape)
cerr() (in module httk)
(in module httk.core.console)
chain_vecs() (httk.core.vectors.fracvector.FracVector class method)
(httk.FracVector class method)
(httk.core.vectors.vector.Vector class method)
check_jsonapi_header_requirements() (in module httk.httkweb.jsonapi)
check_symop() (in module httk.atomistic.spacegrouputils)
checkvalid() (in module httk.core.ed25519)
cif2cell() (in module httk.external.cif2cell_ext)
cif_reader_httk_preprocessed() (in module httk.atomistic.atomisticio.structure_cif_io)
cif_reader_that_can_only_read_isotropy_cif() (in module httk.atomistic.atomisticio.structure_cif_io)
cif_to_sgstructure() (in module httk.external.platon_ext)
cif_to_struct() (in module httk.atomistic.atomisticio.structure_cif_io)
cif_to_structure_noreduce() (in module httk.external.cif2cell_ext)
cif_to_structure_reduce() (in module httk.external.cif2cell_ext)
cifdata_to_struct() (in module httk.atomistic.atomisticio.structure_cif_io)
clean() (httk.atomistic.Cell method)
(httk.atomistic.RepresentativeSites method)
(httk.atomistic.RepresentativeStructure method)
(httk.atomistic.Structure method)
(httk.atomistic.cell.Cell method)
(httk.atomistic.cellshape.CellShape method)
(httk.atomistic.representativesites.RepresentativeSites method)
(httk.atomistic.representativestructure.RepresentativeStructure method)
(httk.atomistic.sites.Sites method)
(httk.atomistic.structure.Structure method)
clean_coordgroups_and_assignments() (in module httk.atomistic.sitesutils)
(in module httk.atomistic.structureutils)
cleveropen() (in module httk.core.ioadapters)
close() (httk.core.ioadapters.IoAdapterFileAppender method)
(httk.IoAdapterFileAppender method)
(httk.IoAdapterFileReader method)
(httk.IoAdapterFileWriter method)
(httk.IoAdapterString method)
(httk.core.ioadapters.IoAdapterFileReader method)
(httk.core.ioadapters.IoAdapterFileWriter method)
(httk.core.ioadapters.IoAdapterFilename method)
(httk.core.ioadapters.IoAdapterString method)
(httk.db.backend.sqlite.Sqlite method)
(httk.db.backend.sqlite.Sqlite.SqliteCursor method)
Code (class in httk)
(class in httk.core.code)
CodeRef (class in httk.core.code)
CodeTag (class in httk.core.code)
Command (class in httk.external.command)
commit() (httk.db.backend.sqlite.Sqlite method)
(httk.db.store.sqlstore.SqlStore method)
competing_indices (httk.analysis.matsci.phasediagram.PhaseDiagram attribute)
Compound (class in httk.atomistic)
(class in httk.atomistic.compound)
CompoundName (class in httk.atomistic.compound)
CompoundRef (class in httk.atomistic)
(class in httk.atomistic.compound)
CompoundStructure (class in httk.atomistic)
(class in httk.atomistic.compound)
CompoundTag (class in httk.atomistic)
(class in httk.atomistic.compound)
Computation (class in httk)
(class in httk.core.computation)
ComputationProject (class in httk)
(class in httk.core.computation)
ComputationRef (class in httk.core.computation)
ComputationRelated (class in httk)
(class in httk.core.computation)
ComputationRelatedCompound (class in httk.atomistic.compound)
ComputationTag (class in httk.core.computation)
connections() (httk.atomistic.vis.jmolstructurevisualizer.JmolStructureVisualizer method)
constant_comparison_handler() (in module httk.optimade.optimade_filter_to_httk)
constant_set_handler() (in module httk.optimade.optimade_filter_to_httk)
constant_stringmatching_handler() (in module httk.optimade.optimade_filter_to_httk)
content() (httk.httkweb.render_httk.RenderHttk method)
(httk.httkweb.render_rst.RenderRst method)
coord_system (httk.analysis.matsci.phasediagram.PhaseDiagram attribute)
coordgroups_and_assignments_to_coords_and_occupancies() (in module httk.atomistic.structureutils)
coordgroups_and_assignments_to_symbols() (in module httk.atomistic.structureutils)
coordgroups_cartesian_to_reduced() (httk.atomistic.Cell method)
(httk.atomistic.cell.Cell method)
(httk.atomistic.cellshape.CellShape method)
(in module httk.atomistic.sitesutils)
(in module httk.atomistic.structureutils)
coordgroups_reduced_rc_to_unitcellsites() (in module httk.atomistic.structureutils)
(in module httk.external.ase_glue)
(in module httk.external.cif2cell_ext)
coordgroups_reduced_to_cartesian() (httk.atomistic.Cell method)
(httk.atomistic.cell.Cell method)
(httk.atomistic.cellshape.CellShape method)
(in module httk.atomistic.sitesutils)
coordgroups_reduced_to_unitcell() (in module httk.atomistic.sitesutils)
coordgroups_reduced_uc_to_representative() (in module httk.atomistic.structureutils)
coordgroups_to_coords() (in module httk.atomistic.sitesutils)
(in module httk.atomistic.structureutils)
coords() (httk.analysis.matsci.phasediagram.PhaseDiagram method)
coords_and_counts_to_coordgroups() (in module httk.atomistic.sitesutils)
(in module httk.atomistic.structureutils)
coords_and_occupancies_to_coordgroups_and_assignments() (in module httk.atomistic.sitesutils)
(in module httk.atomistic.structureutils)
coords_cartesian_to_reduced() (httk.atomistic.Cell method)
(httk.atomistic.cell.Cell method)
(httk.atomistic.cellshape.CellShape method)
coords_groupnumber (httk.atomistic.sites.Sites attribute)
coords_reduced_to_cartesian() (httk.atomistic.Cell method)
(httk.atomistic.cell.Cell method)
(httk.atomistic.cellshape.CellShape method)
(in module httk.atomistic.sitesutils)
coords_to_coordgroups() (in module httk.atomistic.sitesutils)
(in module httk.atomistic.structureutils)
coordswap() (in module httk.atomistic.sitesutils)
(in module httk.atomistic.structureutils)
copy() (httk.db.filteredcollection.FCDict method)
(httk.db.filteredcollection.FCMultiDict method)
copy_template() (in module httk.iface.vasp_if)
copysign() (in module httk.core.vectors.vectormath)
cos() (httk.core.vectors.fracvector.FracVector method)
(httk.FracVector method)
(in module httk.core.vectors.vectormath)
cosh() (in module httk.core.vectors.vectormath)
count() (httk.db.filteredcollection.FCSqlite method)
(httk.optimade.httk_execute_query.HttkResults method)
counts (httk.atomistic.sites.Sites attribute)
cout() (in module httk)
(in module httk.core.console)
create() (httk.analysis.matsci.phasediagram.PhaseDiagram class method)
(httk.Author class method)
(httk.Code class method)
(httk.Computation class method)
(httk.ComputationProject class method)
(httk.ComputationRelated class method)
(httk.FracScalar class method)
(httk.FracVector class method)
(httk.Project class method)
(httk.Reference class method)
(httk.Result class method)
(httk.Signature class method)
(httk.SignatureKey class method)
(httk.atomistic.Assignments class method)
(httk.atomistic.Cell class method)
(httk.atomistic.Compound class method)
(httk.atomistic.CompoundStructure class method)
(httk.atomistic.RepresentativeSites class method)
(httk.atomistic.RepresentativeStructure class method)
(httk.atomistic.Structure class method)
(httk.atomistic.StructurePhaseDiagram class method)
(httk.atomistic.UnitcellStructure class method)
(httk.atomistic.assignment.Assignment class method)
(httk.atomistic.assignments.Assignments class method)
(httk.atomistic.cell.Cell class method)
(httk.atomistic.cellshape.CellShape class method)
(httk.atomistic.compound.Compound class method)
(httk.atomistic.compound.CompoundStructure class method)
(httk.atomistic.compound.ComputationRelatedCompound class method)
(httk.atomistic.representativesites.RepresentativeSites class method)
(httk.atomistic.representativestructure.RepresentativeStructure class method)
(httk.atomistic.siteassignment.SiteAssignment class method)
(httk.atomistic.sites.Sites class method)
(httk.atomistic.spacegroup.Spacegroup class method)
(httk.atomistic.structure.Structure class method)
(httk.atomistic.structurephasediagram.StructurePhaseDiagram class method)
(httk.atomistic.structurephasediagram.StructurePhaseDiagramCompetingIndicies class method)
(httk.atomistic.unitcellstructure.UnitcellStructure class method)
(httk.core.code.Code class method)
(httk.core.computation.Computation class method)
(httk.core.computation.ComputationProject class method)
(httk.core.computation.ComputationRelated class method)
(httk.core.computation.Result class method)
(httk.core.project.Project class method)
(httk.core.project.ProjectOwner class method)
(httk.core.reference.Author class method)
(httk.core.reference.Reference class method)
(httk.core.signature.Signature class method)
(httk.core.signature.SignatureKey class method)
(httk.core.vectors.fracvector.FracScalar class method)
(httk.core.vectors.fracvector.FracVector class method)
(httk.core.vectors.vector.Vector class method)
create_batch_task() (in module httk.task.taskmgr)
create_cos() (httk.core.vectors.fracvector.FracVector class method)
(httk.FracVector class method)
create_exp() (httk.core.vectors.fracvector.FracVector class method)
(httk.FracVector class method)
create_sin() (httk.core.vectors.fracvector.FracVector class method)
(httk.FracVector class method)
create_table() (httk.db.backend.sqlite.Sqlite method)
(httk.db.store.dictstore.DictStore method)
(httk.db.store.sqlstore.SqlStore method)
create_tmpdir() (in module httk.core.basic)
cross() (httk.core.vectors.fracvector.FracVector method)
(httk.FracVector method)
crystal_system (httk.atomistic.RepresentativeSites attribute)
(httk.atomistic.representativesites.RepresentativeSites attribute)
crystal_system_from_hall() (in module httk.atomistic.spacegrouputils)
crystal_system_from_spacegroupnbr() (in module httk.atomistic.spacegrouputils)
cubic() (httk.atomistic.supercellutils.StructureSupercellPlugin method)
cubic_supercell_transformation() (in module httk.atomistic.supercellutils)
cursor() (httk.db.backend.sqlite.Sqlite method)
D
data() (httk.db.filteredcollection.FCDict method)
(httk.db.filteredcollection.FCMultiDict method)
db_close() (in module httk.db.backend.sqlite)
db_open() (in module httk.db.backend.sqlite)
db_sqlite_close_all() (in module httk.db.backend.sqlite)
DeclaredFunction (class in httk.db.filteredcollection)
decodeint() (in module httk.core.ed25519)
decodepoint() (in module httk.core.ed25519)
defaults_publish() (httk.atomistic.vis.jmolstructurevisualizer.JmolStructureVisualizer method)
degrees() (in module httk.core.vectors.vectormath)
delay_commit() (httk.db.store.sqlstore.SqlStore method)
description (httk.db.backend.sqlite.Sqlite.SqliteCursor attribute)
destroy_tmpdir() (in module httk.core.basic)
det() (httk.core.vectors.fracvector.FracVector method)
(httk.FracVector method)
determine_optimade_version() (in module httk.optimade.validate)
determine_version_data() (in module httk.config.config)
DictStore (class in httk.db.store.dictstore)
DictStore.Keeper (class in httk.db.store.dictstore)
dim (httk.core.vectors.fracvector.FracVector attribute)
(httk.FracVector attribute)
dont_print_citations_at_exit() (in module httk.core.citation)
dot() (httk.core.vectors.fracvector.FracVector method)
(httk.FracVector method)
duplicate() (httk.db.filteredcollection.FilteredCollection method)
E
e() (in module httk.core.vectors.vectormath)
ebnf_unqote() (in module httk.core.miniparser)
edwards() (in module httk.core.ed25519)
element_wyckoff_sequence (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
encodeint() (in module httk.core.ed25519)
encodepoint() (in module httk.core.ed25519)
ensure_ase_is_imported() (in module httk.external.ase_glue)
ensure_has_cif2cell() (in module httk.external.cif2cell_ext)
(in module httk.external.jmol)
ensure_has_isotropy() (in module httk.external.isotropy_ext)
ensure_has_platon() (in module httk.external.platon_ext)
ensure_pymatgen_is_imported() (in module httk.external.pymatgen_glue)
ensure_pyspg_is_imported() (in module httk.external.pyspglib_ext)
erf() (in module httk.core.vectors.vectormath)
erfc() (in module httk.core.vectors.vectormath)
ExceptionlessConfig (class in httk.config.config)
execute() (httk.db.backend.sqlite.Sqlite.SqliteCursor method)
(httk.httkweb.functionhandler_httk.FunctionHandlerHttk method)
execute_and_format() (httk.httkweb.functionhandler_httk.FunctionHandlerHttk method)
exp() (httk.core.vectors.fracvector.FracVector method)
(httk.FracVector method)
(in module httk.core.vectors.vectormath)
expm1() (in module httk.core.vectors.vectormath)
expmod() (in module httk.core.ed25519)
Expression (class in httk.db.filteredcollection)
extbonds() (httk.atomistic.vis.jmolstructurevisualizer.JmolStructureVisualizer method)
extended (httk.atomistic.Assignments attribute)
(httk.atomistic.Structure attribute)
(httk.atomistic.assignments.Assignments attribute)
(httk.atomistic.structure.Structure attribute)
extensions (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
eye() (httk.core.vectors.fracvector.FracVector class method)
(httk.FracVector class method)
(httk.core.vectors.vector.Vector class method)
F
fabs() (in module httk.core.vectors.vectormath)
factorial() (in module httk.core.vectors.vectormath)
false_handler() (in module httk.optimade.optimade_filter_to_httk)
fc_checkcontext() (in module httk.db.filteredcollection)
fc_eval() (in module httk.db.filteredcollection)
fc_get_srctable_context() (in module httk.db.filteredcollection)
fc_sql() (in module httk.db.filteredcollection)
FCDict (class in httk.db.filteredcollection)
FCMultiDict (class in httk.db.filteredcollection)
FCMultiSqlite (class in httk.db.filteredcollection)
FCSqlite (class in httk.db.filteredcollection)
fetch_codependent_data() (httk.db.httkobjdbplugin.HttkObjDbPlugin method)
fetchall() (httk.db.backend.sqlite.Sqlite.SqliteCursor method)
fetchone() (httk.db.backend.sqlite.Sqlite.SqliteCursor method)
filter_hm() (in module httk.atomistic.spacegrouputils)
filter_itcnbr_setting() (in module httk.atomistic.spacegrouputils)
filter_sf() (in module httk.atomistic.spacegrouputils)
filter_symops() (in module httk.atomistic.spacegrouputils)
FilteredCollection (class in httk.db.filteredcollection)
find_all() (httk.db.storable.Storable class method)
find_executable() (in module httk.external.command)
find_index() (in module httk.atomistic.data.spacegroups)
find_one() (httk.db.storable.Storable class method)
find_symmetry() (httk.atomistic.Structure method)
(httk.atomistic.structure.Structure method)
flatten() (httk.core.vectors.fracvector.FracVector method)
(httk.FracVector method)
(in module httk.core.basic)
floor() (httk.core.vectors.fracvector.FracVector method)
(httk.FracVector method)
(in module httk.core.vectors.vectormath)
fmod() (in module httk.core.vectors.vectormath)
format_field() (httk.httkweb.templateengine_httk.HttkTemplateFormatter method)
format_optimade_error() (in module httk.optimade.error)
format_output() (in module httk.optimade.serve)
format_value() (in module httk.optimade.optimade_filter_to_httk)
formula (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
formula_builder (httk.atomistic.RepresentativeStructure attribute)
(httk.atomistic.UnitcellStructure attribute)
(httk.atomistic.representativestructure.RepresentativeStructure attribute)
(httk.atomistic.unitcellstructure.UnitcellStructure attribute)
formula_counts (httk.atomistic.Compound attribute)
(httk.atomistic.Structure attribute)
(httk.atomistic.compound.Compound attribute)
(httk.atomistic.structure.Structure attribute)
formula_spaceseparated (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
formula_symbols (httk.atomistic.Compound attribute)
(httk.atomistic.Structure attribute)
(httk.atomistic.compound.Compound attribute)
(httk.atomistic.structure.Structure attribute)
frac_acos() (in module httk.core.vectors.fracmath)
frac_acos_alt() (in module httk.core.vectors.fracmath)
frac_acos_old() (in module httk.core.vectors.fracmath)
frac_asin() (in module httk.core.vectors.fracmath)
frac_atan() (in module httk.core.vectors.fracmath)
frac_atan2() (in module httk.core.vectors.fracmath)
frac_atan_old() (in module httk.core.vectors.fracmath)
frac_cos() (in module httk.core.vectors.fracmath)
frac_exp() (in module httk.core.vectors.fracmath)
frac_exp_old() (in module httk.core.vectors.fracmath)
frac_log() (in module httk.core.vectors.fracmath)
frac_log10() (in module httk.core.vectors.fracmath)
frac_log_old() (in module httk.core.vectors.fracmath)
frac_pi() (in module httk.core.vectors.fracmath)
frac_pi_old() (in module httk.core.vectors.fracmath)
frac_sin() (in module httk.core.vectors.fracmath)
frac_sin_old() (in module httk.core.vectors.fracmath)
frac_sqrt() (in module httk.core.vectors.fracmath)
frac_sqrt_old() (in module httk.core.vectors.fracmath)
frac_tan() (in module httk.core.vectors.fracmath)
FracScalar (class in httk)
(class in httk.core.vectors.fracvector)
fraction_from_continued_fraction() (in module httk.core.vectors.fracmath)
FracVector (class in httk)
(class in httk.core.vectors.fracvector)
frexp() (in module httk.core.vectors.vectormath)
from_Atoms() (httk.external.ase_glue.StructureAsePlugin class method)
from_floats() (httk.core.vectors.fracvector.FracVector class method)
(httk.FracVector class method)
from_FracVector() (httk.core.vectors.mutablefracvector.MutableFracVector class method)
(httk.MutableFracVector class method)
from_tuple() (httk.core.vectors.fracvector.FracVector class method)
(httk.FracVector class method)
fsum() (in module httk.core.vectors.vectormath)
Function (class in httk.db.filteredcollection)
function() (httk.db.filteredcollection.FCDict method)
(httk.db.filteredcollection.FCSqlite method)
FunctionHandlerHttk (class in httk.httkweb.functionhandler_httk)
G
gamma() (in module httk.core.vectors.vectormath)
ged_prestacked() (httk.core.vectors.fracvector.FracVector method)
(httk.FracVector method)
(httk.core.vectors.vector.Vector method)
ged_stackedinsert() (httk.core.vectors.fracvector.FracVector method)
(httk.FracVector method)
(httk.core.vectors.vector.Vector method)
general() (httk.atomistic.supercellutils.StructureSupercellPlugin method)
generate_base_endpoint_reply() (in module httk.optimade.info_endpoint)
generate_entry_endpoint_reply() (in module httk.optimade.entry_endpoint)
generate_entry_info_endpoint_reply() (in module httk.optimade.info_endpoint)
generate_fake_potentials() (in module httk.iface.gulp_if)
generate_fake_potentials_try2() (in module httk.iface.gulp_if)
generate_info_endpoint_reply() (in module httk.optimade.info_endpoint)
generate_keys() (in module httk.core.crypto)
generate_links_endpoint_reply() (in module httk.optimade.info_endpoint)
generate_meta() (in module httk.optimade.meta)
generate_single_entry_endpoint_reply() (in module httk.optimade.entry_endpoint)
generate_versions_endpoint_reply() (in module httk.optimade.info_endpoint)
get() (httk.db.store.dictstore.DictStore method)
(httk.db.store.sqlstore.SqlStore method)
get_append() (httk.core.vectors.fracvector.FracVector method)
(httk.FracVector method)
(httk.core.vectors.vector.Vector method)
get_axes_standard_order_transform() (httk.atomistic.Cell method)
(httk.atomistic.cell.Cell method)
get_cartesian_coordgroups() (httk.atomistic.sites.Sites method)
get_cartesian_coords() (httk.atomistic.sites.Sites method)
get_codependent_data() (httk.core.httkobject.HttkObject method)
(httk.HttkObject method)
get_continued_fraction() (in module httk.core.vectors.fracmath)
get_crypto_signature() (in module httk.core.crypto)
get_dependency_filenames() (httk.httkweb.functionhandler_httk.FunctionHandlerHttk method)
(httk.httkweb.templateengine_httk.TemplateEngineHttk method)
(httk.httkweb.templateengine_templator.TemplateEngineTemplator method)
get_extend() (httk.core.vectors.fracvector.FracVector method)
(httk.FracVector method)
(httk.core.vectors.vector.Vector method)
get_extensions() (httk.atomistic.assignment.Assignment method)
(httk.atomistic.siteassignment.SiteAssignment method)
get_field() (httk.httkweb.templateengine_httk.HttkTemplateFormatter method)
get_hall() (in module httk.atomistic.spacegrouputils)
get_hm_setting() (in module httk.atomistic.spacegrouputils)
get_insert() (httk.core.vectors.fracvector.FracVector method)
(httk.FracVector method)
(httk.core.vectors.vector.Vector method)
get_itcnbr_setting() (in module httk.atomistic.spacegrouputils)
get_magmom() (in module httk.iface.vasp_if)
get_magnetizations() (in module httk.iface.vasp_if)
get_names() (httk.atomistic.Compound method)
(httk.atomistic.compound.Compound method)
get_nonstandard_hall() (in module httk.atomistic.spacegrouputils)
get_normalized() (httk.atomistic.Cell method)
(httk.atomistic.cell.Cell method)
get_normalized_longestvec() (httk.atomistic.Cell method)
(httk.atomistic.cell.Cell method)
get_phasediagram() (httk.atomistic.StructurePhaseDiagram method)
(httk.atomistic.structurephasediagram.StructurePhaseDiagram method)
get_prepend() (httk.core.vectors.fracvector.FracVector method)
(httk.FracVector method)
(httk.core.vectors.vector.Vector method)
get_prextend() (httk.core.vectors.fracvector.FracVector method)
(httk.FracVector method)
(httk.core.vectors.vector.Vector method)
get_primitive_basis_transform() (in module httk.atomistic.structureutils)
get_primitive_to_conventional_basis_transform() (in module httk.atomistic.cellutils)
get_projects() (httk.Computation method)
(httk.core.computation.Computation method)
get_proper_hm_symbol() (in module httk.atomistic.data.spacegroups)
get_pseudopotential() (in module httk.iface.vasp_if)
get_refs() (httk.atomistic.Compound method)
(httk.Code method)
(httk.Computation method)
(httk.Project method)
(httk.atomistic.Structure method)
(httk.atomistic.compound.Compound method)
(httk.atomistic.structure.Structure method)
(httk.core.code.Code method)
(httk.core.computation.Computation method)
(httk.core.project.Project method)
get_row() (httk.db.backend.sqlite.Sqlite method)
get_rows() (httk.db.backend.sqlite.Sqlite method)
get_srctable_context() (httk.db.filteredcollection.Expression method)
get_stacked() (httk.core.vectors.fracvector.FracVector method)
(httk.FracVector method)
(httk.core.vectors.vector.Vector method)
get_stidy_spacegroup() (in module httk.iface.platon_if)
get_symops() (in module httk.atomistic.spacegrouputils)
get_symops_strs() (in module httk.atomistic.spacegrouputils)
get_symopshash() (in module httk.atomistic.spacegrouputils)
get_tag() (httk.atomistic.Compound method)
(httk.Code method)
(httk.Computation method)
(httk.Project method)
(httk.atomistic.Structure method)
(httk.atomistic.compound.Compound method)
(httk.atomistic.structure.Structure method)
(httk.core.code.Code method)
(httk.core.computation.Computation method)
(httk.core.project.Project method)
get_tags() (httk.atomistic.Compound method)
(httk.Code method)
(httk.Computation method)
(httk.Project method)
(httk.atomistic.Structure method)
(httk.atomistic.compound.Compound method)
(httk.atomistic.structure.Structure method)
(httk.core.code.Code method)
(httk.core.computation.Computation method)
(httk.core.project.Project method)
get_uc_sites() (httk.atomistic.RepresentativeSites method)
(httk.atomistic.representativesites.RepresentativeSites method)
get_val() (httk.db.backend.sqlite.Sqlite method)
get_weight() (httk.atomistic.assignment.Assignment method)
H
H() (in module httk.core.ed25519)
hall_symbol (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
handle_data() (httk.httkweb.app_curses.MyHTMLParser method)
handle_endtag() (httk.httkweb.app_curses.MyHTMLParser method)
handle_startendtag() (httk.httkweb.app_curses.MyHTMLParser method)
handle_starttag() (httk.httkweb.app_curses.MyHTMLParser method)
has_any() (httk.db.filteredcollection.Expression method)
has_inv_any() (httk.db.filteredcollection.Expression method)
has_inv_only() (httk.db.filteredcollection.Expression method)
has_only() (httk.db.filteredcollection.Expression method)
has_rc_repr (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
has_uc_repr (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
hexhash (httk.core.httkobject.HttkObject attribute)
(httk.HttkObject attribute)
hexhash_ioa() (in module httk.core.crypto)
hexhash_str() (in module httk.core.crypto)
Hint() (in module httk.core.ed25519)
httk (module)
httk.analysis (module)
httk.analysis.matsci (module)
httk.analysis.matsci.phasediagram (module)
httk.analysis.matsci.vis (module)
httk.analysis.matsci.vis.phasediagramvisualizerplugin (module)
httk.atomistic (module)
httk.atomistic.assignment (module)
httk.atomistic.assignments (module)
httk.atomistic.atomisticio (module)
httk.atomistic.atomisticio.structure_cif_io (module)
httk.atomistic.atomisticio.structure_io (module)
httk.atomistic.atomisticio.structureioplugin (module)
httk.atomistic.cell (module)
httk.atomistic.cellshape (module)
httk.atomistic.cellutils (module)
httk.atomistic.cli (module)
httk.atomistic.compound (module)
httk.atomistic.data (module)
httk.atomistic.data.periodictable (module)
httk.atomistic.data.spacegroups (module)
httk.atomistic.formulautils (module)
httk.atomistic.representativesites (module)
httk.atomistic.representativestructure (module)
httk.atomistic.results (module)
httk.atomistic.results.relaxedcellresult (module)
httk.atomistic.results.totalenergyresult (module)
httk.atomistic.siteassignment (module)
httk.atomistic.sites (module)
httk.atomistic.sitesutils (module)
httk.atomistic.spacegroup (module)
httk.atomistic.spacegrouputils (module)
httk.atomistic.structure (module)
httk.atomistic.structurephasediagram (module)
httk.atomistic.structureutils (module)
httk.atomistic.supercellutils (module)
httk.atomistic.unitcellsites (module)
httk.atomistic.unitcellstructure (module)
httk.atomistic.vis (module)
httk.atomistic.vis.asestructurevisualizer (module)
httk.atomistic.vis.jmolstructurevisualizer (module)
httk.atomistic.vis.structurephasediagramvisualizerplugin (module)
httk.atomistic.vis.structurevisualizerplugin (module)
httk.cli (module)
httk.config (module)
httk.config.config (module)
httk.core (module)
httk.core.basic (module)
httk.core.citation (module)
httk.core.code (module)
httk.core.computation (module)
httk.core.console (module)
httk.core.crypto (module)
httk.core.ed25519 (module)
httk.core.geometry (module)
httk.core.httkobject (module)
httk.core.ioadapters (module)
httk.core.miniparser (module)
httk.core.project (module)
httk.core.reference (module)
httk.core.signature (module)
httk.core.template (module)
httk.core.vectors (module)
httk.core.vectors.fracmath (module)
httk.core.vectors.fracvector (module)
httk.core.vectors.mutablefracvector (module)
httk.core.vectors.vector (module)
httk.core.vectors.vectormath (module)
httk.db (module)
httk.db.backend (module)
httk.db.backend.sqlite (module)
httk.db.filteredcollection (module)
httk.db.httkobjdbplugin (module)
httk.db.storable (module)
httk.db.store (module)
httk.db.store.dictstore (module)
httk.db.store.sqlstore (module)
httk.db.store.trivialstore (module)
httk.external (module)
httk.external.aflow_ext (module)
httk.external.ase_glue (module)
httk.external.cif2cell_ext (module)
httk.external.command (module)
httk.external.gulp_ext (module)
httk.external.isotropy_ext (module)
httk.external.jmol (module)
httk.external.platon_ext (module)
httk.external.pymatgen_glue (module)
httk.external.pyspglib_ext (module)
httk.external.subimport (module)
httk.graphics (module)
httk.graphics.matplotlib (module)
httk.httkio (module)
httk.httkio.cif (module)
httk.httkio.load (module)
httk.httkio.save (module)
httk.httkweb (module)
httk.httkweb.app_curses (module)
httk.httkweb.app_qt5 (module)
httk.httkweb.functionhandler_httk (module)
httk.httkweb.helpers (module)
httk.httkweb.jsonapi (module)
httk.httkweb.publish (module)
httk.httkweb.render_httk (module)
httk.httkweb.render_rst (module)
httk.httkweb.serve (module)
httk.httkweb.templateengine_httk (module)
httk.httkweb.templateengine_templator (module)
httk.httkweb.webgenerator (module)
httk.httkweb.webserver (module)
httk.httkweb.wsgi (module)
httk.iface (module)
httk.iface.ase_if (module)
httk.iface.cif2cell_if (module)
httk.iface.gulp_if (module)
httk.iface.isotropy_if (module)
httk.iface.jmol_if (module)
httk.iface.openbabel_if_notstable (module)
httk.iface.platon_if (module)
httk.iface.spglib_if (module)
httk.iface.vasp_if (module)
httk.optimade (module)
httk.optimade.entry_endpoint (module)
httk.optimade.error (module)
httk.optimade.httk_entries (module)
httk.optimade.httk_execute_query (module)
httk.optimade.info_endpoint (module)
httk.optimade.meta (module)
httk.optimade.optimade_entries (module)
httk.optimade.optimade_filter_to_httk (module)
httk.optimade.parse_optimade_filter (module)
httk.optimade.process (module)
httk.optimade.serve (module)
httk.optimade.validate (module)
httk.optimade.validation (module)
httk.optimade.validation.all (module)
httk.optimade.validation.base_info (module)
httk.optimade.validation.entry (module)
httk.optimade.validation.exception (module)
httk.optimade.validation.headers (module)
httk.optimade.validation.request (module)
httk.optimade.validation.response (module)
httk.optimade.versions (module)
httk.task (module)
httk.task.reader (module)
httk.task.taskmgr (module)
httk.versioning (module)
httk_execute_query() (in module httk.optimade.httk_execute_query)
httk_typed_init() (in module httk)
(in module httk.core.httkobject)
httk_typed_init_delayed() (in module httk)
(in module httk.core.httkobject)
httk_typed_property() (in module httk)
(in module httk.core.httkobject)
httk_typed_property_delayed() (in module httk)
(in module httk.core.httkobject)
httk_typed_property_resolve() (in module httk.core.httkobject)
HttkObjDbPlugin (class in httk.db.httkobjdbplugin)
HttkObject (class in httk)
(class in httk.core.httkobject)
HttkPlugin (class in httk)
(class in httk.core.httkobject)
HttkPluginPlaceholder (class in httk)
(class in httk.core.httkobject)
HttkPluginWrapper (class in httk)
(class in httk.core.httkobject)
HttkResults (class in httk.optimade.httk_execute_query)
HttkTemplateFormatter (class in httk.httkweb.templateengine_httk)
HttkTypedProperty (class in httk.core.httkobject)
hull_competing_indices (httk.analysis.matsci.phasediagram.PhaseDiagram attribute)
hull_competing_phase_lines() (httk.analysis.matsci.phasediagram.PhaseDiagram method)
hull_distances (httk.analysis.matsci.phasediagram.PhaseDiagram attribute)
hull_indices (httk.analysis.matsci.phasediagram.PhaseDiagram attribute)
hull_point_coords() (httk.analysis.matsci.phasediagram.PhaseDiagram method)
hull_points() (httk.analysis.matsci.phasediagram.PhaseDiagram method)
hull_to_interior_competing_phase_lines() (httk.analysis.matsci.phasediagram.PhaseDiagram method)
hull_z() (in module httk.core.geometry)
hypot() (in module httk.core.vectors.vectormath)
I
identify() (in module httk.httkweb.helpers)
ignore_close_tags (httk.httkweb.app_curses.MyHTMLParser attribute)
ignore_content (httk.httkweb.app_curses.MyHTMLParser attribute)
initialize() (httk.atomistic.vis.jmolstructurevisualizer.JmolStructureVisualizer method)
initialize_optimade_parser() (in module httk.optimade.parse_optimade_filter)
inmap() (in module httk.core.vectors.mutablefracvector)
insert() (httk.db.backend.sqlite.Sqlite method)
(httk.db.store.dictstore.DictStore method)
(httk.db.store.sqlstore.SqlStore method)
insert_row() (httk.db.backend.sqlite.Sqlite method)
instantiate_from_store() (in module httk.db.filteredcollection)
int_to_anonymous_symbol() (in module httk.core.basic)
integer_sqrt() (in module httk.core.vectors.fracmath)
interior_competing_phase_lines() (httk.analysis.matsci.phasediagram.PhaseDiagram method)
interior_point_coords() (httk.analysis.matsci.phasediagram.PhaseDiagram method)
internal_coordgroups_reduced_rc_to_unitcellsites() (in module httk.atomistic.structureutils)
inv() (httk.core.vectors.fracvector.FracVector method)
(httk.FracVector method)
(in module httk.core.ed25519)
invalidate() (httk.core.vectors.mutablefracvector.MutableFracVector method)
(httk.MutableFracVector method)
io (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
IoAdapterFileAppender (class in httk)
(class in httk.core.ioadapters)
IoAdapterFilename (class in httk.core.ioadapters)
IoAdapterFileReader (class in httk)
(class in httk.core.ioadapters)
IoAdapterFileWriter (class in httk)
(class in httk.core.ioadapters)
IoAdapterString (class in httk)
(class in httk.core.ioadapters)
IoAdapterStringList (class in httk)
,
[1]
(class in httk.core.ioadapters)
is_any_part_of_cube_inside_cell() (in module httk.core.geometry)
is_dualmagnetic() (in module httk.iface.vasp_if)
is_in() (httk.db.filteredcollection.Expression method)
is_point_inside() (httk.atomistic.Cell method)
(httk.atomistic.cell.Cell method)
(httk.atomistic.cellshape.CellShape method)
is_point_inside_cell() (in module httk.core.geometry)
is_point_inside_tetra() (in module httk.core.geometry)
is_string() (in module httk.core.vectors.fracmath)
is_unary() (in module httk.core.basic)
isanyinf() (in module httk.core.vectors.vectormath)
isanynan() (in module httk.core.vectors.vectormath)
isinf() (in module httk.core.vectors.vectormath)
isnan() (in module httk.core.vectors.vectormath)
isoncurve() (in module httk.core.ed25519)
isotropy() (in module httk.external.isotropy_ext)
J
jmol() (in module httk.external.gulp_ext)
JmolStructureVisualizer (class in httk.atomistic.vis.jmolstructurevisualizer)
JsonapiError
K
known_unknown_handler() (in module httk.optimade.optimade_filter_to_httk)
L
lattice_symbol (httk.atomistic.RepresentativeSites attribute)
(httk.atomistic.representativesites.RepresentativeSites attribute)
lattice_symbol_from_hall() (in module httk.atomistic.spacegrouputils)
lattice_system (httk.atomistic.RepresentativeSites attribute)
(httk.atomistic.representativesites.RepresentativeSites attribute)
lattice_system_from_hall() (in module httk.atomistic.spacegrouputils)
lattice_system_from_lengths_and_cosangles() (in module httk.atomistic.cellutils)
lattice_system_from_niggli() (in module httk.atomistic.cellutils)
lattice_type_from_hall() (in module httk.atomistic.spacegrouputils)
ldexp() (in module httk.core.vectors.vectormath)
left_punctuation_chars (httk.httkweb.render_httk.RenderHttk attribute)
lengths_and_angles_to_niggli() (in module httk.atomistic.cellutils)
lengths_and_cosangles_to_conventional_basis() (in module httk.atomistic.cellutils)
lengths_and_cosangles_to_niggli() (in module httk.atomistic.cellutils)
lengths_angles_to_niggli() (in module httk.atomistic.structureutils)
lengthsqr() (httk.core.vectors.fracvector.FracVector method)
(httk.FracVector method)
lexer() (in module httk.core.miniparser)
lgamma() (in module httk.core.vectors.vectormath)
like() (httk.db.filteredcollection.Expression method)
limit_denominator() (httk.core.vectors.fracvector.FracVector method)
(httk.FracVector method)
line_coords() (httk.analysis.matsci.phasediagram.PhaseDiagram method)
list_set_slice() (in module httk.core.vectors.mutablefracvector)
list_slice() (in module httk.core.vectors.mutablefracvector)
load() (httk.atomistic.atomisticio.structureioplugin.StructureIoPlugin class method)
(in module httk)
(in module httk.httkio.load)
load_struct() (in module httk.atomistic.atomisticio.structure_io)
log() (in module httk.core.vectors.vectormath)
log10() (in module httk.core.vectors.vectormath)
log1p() (in module httk.core.vectors.vectormath)
logger() (in module httk.core.miniparser)
LogVerbosity (class in httk.core.miniparser)
M
magnetization_recurse() (in module httk.iface.vasp_if)
main() (in module httk.atomistic.assignment)
(in module httk.atomistic.assignments)
(in module httk.atomistic.cell)
(in module httk.atomistic.cellshape)
(in module httk.atomistic.cellutils)
(in module httk.atomistic.cli)
(in module httk.atomistic.compound)
(in module httk.atomistic.representativesites)
(in module httk.atomistic.representativestructure)
(in module httk.atomistic.siteassignment)
(in module httk.atomistic.sites)
(in module httk.atomistic.sitesutils)
(in module httk.atomistic.spacegroup)
(in module httk.atomistic.spacegrouputils)
(in module httk.atomistic.structure)
(in module httk.atomistic.structurephasediagram)
(in module httk.atomistic.structureutils)
(in module httk.atomistic.unitcellsites)
(in module httk.cli)
(in module httk.core.basic)
(in module httk.core.code)
(in module httk.core.computation)
(in module httk.core.crypto)
(in module httk.core.ed25519)
(in module httk.core.ioadapters)
(in module httk.core.project)
(in module httk.core.reference)
(in module httk.core.signature)
(in module httk.core.vectors.fracmath)
(in module httk.core.vectors.fracvector)
(in module httk.core.vectors.mutablefracvector)
(in module httk.core.vectors.vector)
(in module httk.core.vectors.vectormath)
(in module httk.external.jmol)
(in module httk.httkio.cif)
(in module httk.task.reader)
make_id() (httk.httkweb.render_httk.RenderHttk method)
manifest_dir() (in module httk.core.crypto)
max() (httk.core.vectors.fracvector.FracVector method)
(httk.FracVector method)
metadata() (httk.httkweb.render_httk.RenderHttk method)
(httk.httkweb.render_rst.RenderRst method)
metric_product() (httk.core.vectors.fracvector.FracVector method)
(httk.FracVector method)
metric_to_niggli() (in module httk.atomistic.cellutils)
(in module httk.atomistic.structureutils)
micro_pyawk() (in module httk.core.basic)
min() (httk.core.vectors.fracvector.FracVector method)
(httk.FracVector method)
mkdir_p() (in module httk.core.basic)
modf() (in module httk.core.vectors.vectormath)
modify_structure() (httk.db.backend.sqlite.Sqlite method)
most_common_mass() (in module httk.atomistic.data.periodictable)
mul() (httk.core.vectors.fracvector.FracVector method)
(httk.FracVector method)
MutableFracVector (class in httk)
(class in httk.core.vectors.mutablefracvector)
MutableVector (class in httk.core.vectors.vector)
MyHTMLParser (class in httk.httkweb.app_curses)
N
name (httk.external.ase_glue.StructureAsePlugin attribute)
nargmax() (httk.core.vectors.fracvector.FracVector method)
(httk.FracVector method)
nargmin() (httk.core.vectors.fracvector.FracVector method)
(httk.FracVector method)
nested_inmap() (httk.core.vectors.mutablefracvector.MutableFracVector static method)
(httk.MutableFracVector static method)
nested_inmap_list() (in module httk.core.vectors.mutablefracvector)
nested_map() (httk.core.vectors.fracvector.FracVector static method)
(httk.FracVector static method)
(httk.MutableFracVector static method)
(httk.core.vectors.mutablefracvector.MutableFracVector static method)
nested_map_fractions() (httk.core.vectors.fracvector.FracVector static method)
(httk.FracVector static method)
(httk.MutableFracVector static method)
(httk.core.vectors.mutablefracvector.MutableFracVector static method)
nested_map_fractions_list() (in module httk.core.vectors.fracvector)
(in module httk.core.vectors.vector)
nested_map_fractions_tuple() (in module httk.core.vectors.fracvector)
nested_map_list() (in module httk.core.vectors.fracvector)
(in module httk.core.vectors.vector)
nested_map_tuple() (in module httk.core.vectors.fracvector)
nested_reduce() (in module httk.core.vectors.fracvector)
(in module httk.core.vectors.vector)
nested_reduce_fractions() (in module httk.core.vectors.fracvector)
(in module httk.core.vectors.vector)
nested_reduce_levels() (in module httk.core.vectors.fracvector)
(in module httk.core.vectors.vector)
nested_split() (in module httk.core.basic)
new() (httk.db.storable.TrivialStore method)
(httk.db.store.dictstore.DictStore method)
(httk.db.store.sqlstore.SqlStore method)
(httk.db.store.trivialstore.TrivialStore method)
new_from() (httk.core.httkobject.HttkObject class method)
(httk.HttkObject class method)
next() (httk.core.basic.rewindable_iterator method)
(httk.optimade.httk_execute_query.HttkResults method)
niggli_scale_to_vol() (in module httk.atomistic.cellutils)
(in module httk.atomistic.structureutils)
niggli_to_basis() (in module httk.atomistic.cellutils)
(in module httk.atomistic.structureutils)
niggli_to_cell_old() (in module httk.atomistic.structureutils)
niggli_to_conventional_basis() (in module httk.atomistic.cellutils)
niggli_to_lengths_and_angles() (in module httk.atomistic.cellutils)
niggli_to_lengths_and_trigangles() (in module httk.atomistic.cellutils)
niggli_to_lengths_angles() (in module httk.atomistic.structureutils)
niggli_to_metric() (in module httk.atomistic.cellutils)
(in module httk.atomistic.structureutils)
niggli_vol_to_scale() (in module httk.atomistic.structureutils)
nom (httk.core.vectors.fracvector.FracVector attribute)
(httk.FracVector attribute)
normalization_longestvec_scale (httk.atomistic.Cell attribute)
(httk.atomistic.cell.Cell attribute)
normalization_scale (httk.atomistic.Cell attribute)
(httk.atomistic.cell.Cell attribute)
normalize() (httk.core.vectors.fracvector.FracVector method)
(httk.FracVector method)
normalize_half() (httk.core.vectors.fracvector.FracVector method)
(httk.FracVector method)
normalized_formula() (in module httk.atomistic.structureutils)
normalized_formula_parts() (in module httk.atomistic.sitesutils)
(in module httk.atomistic.structureutils)
number (httk.atomistic.spacegroup.Spacegroup attribute)
number_and_setting (httk.atomistic.spacegroup.Spacegroup attribute)
number_handler() (in module httk.optimade.optimade_filter_to_httk)
number_of_elements (httk.atomistic.Compound attribute)
(httk.atomistic.Structure attribute)
(httk.atomistic.compound.Compound attribute)
(httk.atomistic.structure.Structure attribute)
numpy_quickhull_2d() (in module httk.core.geometry)
O
occupations_and_coords_to_assignments_and_coordgroups() (in module httk.atomistic.structureutils)
open_url() (httk.httkweb.app_curses.WebviewCurses method)
optimade_filter_to_httk() (in module httk.optimade.optimade_filter_to_httk)
optimade_filter_to_httk_recurse() (in module httk.optimade.optimade_filter_to_httk)
optimade_parse_tree_to_ojf() (in module httk.optimade.parse_optimade_filter)
optimade_parse_tree_to_ojf_recurse() (in module httk.optimade.parse_optimade_filter)
OptimadeError
option_list_characters (httk.httkweb.render_httk.RenderHttk attribute)
orthogonal() (httk.atomistic.supercellutils.StructureSupercellPlugin method)
orthogonal_supercell_transformation() (in module httk.atomistic.supercellutils)
other_point_coords() (httk.analysis.matsci.phasediagram.PhaseDiagram method)
out_to_cif() (in module httk.iface.isotropy_if)
out_to_struct() (in module httk.iface.cif2cell_if)
OutcarReader (class in httk.iface.vasp_if)
output() (httk.db.filteredcollection.FilteredCollection method)
P
Page (class in httk.httkweb.webgenerator)
params() (httk.analysis.matsci.vis.phasediagramvisualizerplugin.PhaseDiagramVisualizerPlugin method)
(httk.atomistic.vis.structurevisualizerplugin.StructureVisualizerPlugin method)
parse() (httk.iface.vasp_if.OutcarReader method)
parse_optimade_filter() (in module httk.optimade.parse_optimade_filter)
parse_optimade_filter_raw() (in module httk.optimade.parse_optimade_filter)
parse_parexpr() (in module httk.core.basic)
parser() (in module httk.core.miniparser)
ParserError
ParserGrammarError
ParserInternalError
ParserSyntaxError
pbc (httk.atomistic.RepresentativeStructure attribute)
(httk.atomistic.Structure attribute)
(httk.atomistic.UnitcellStructure attribute)
(httk.atomistic.representativestructure.RepresentativeStructure attribute)
(httk.atomistic.structure.Structure attribute)
(httk.atomistic.unitcellstructure.UnitcellStructure attribute)
pbc_to_nonperiodic_vecs() (in module httk.atomistic.sitesutils)
pc (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
pc_a (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
pc_alpha (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
pc_b (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
pc_beta (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
pc_c (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
pc_counts (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
pc_formula_parts (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
pc_gamma (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
pc_nbr_atoms (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
pc_volume (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
periodicity_to_pbc() (in module httk.atomistic.sitesutils)
phase_lines (httk.analysis.matsci.phasediagram.PhaseDiagram attribute)
PhaseDiagram (class in httk.analysis.matsci.phasediagram)
PhaseDiagramVisualizerPlugin (class in httk.analysis.matsci.vis.phasediagramvisualizerplugin)
pi() (httk.core.vectors.fracvector.FracVector class method)
(httk.FracVector class method)
(in module httk.core.vectors.vectormath)
platon() (in module httk.external.platon_ext)
platon_lis_to_struct_broken() (in module httk.iface.platon_if)
platon_lis_to_struct_broken2() (in module httk.iface.platon_if)
platon_sites_to_styin() (in module httk.iface.platon_if)
platon_styin_to_sgstruct() (in module httk.iface.platon_if)
platon_styout_to_sgstruct() (in module httk.iface.platon_if)
platon_styout_to_structure() (in module httk.iface.platon_if)
plugin_init() (httk.analysis.matsci.vis.phasediagramvisualizerplugin.PhaseDiagramVisualizerPlugin method)
(httk.atomistic.atomisticio.structureioplugin.StructureIoPlugin method)
(httk.atomistic.formulautils.StructureFormulaPlugin method)
(httk.atomistic.supercellutils.StructureSupercellPlugin method)
(httk.atomistic.vis.structurephasediagramvisualizerplugin.StructurePhaseDiagramVisualizerPlugin method)
(httk.atomistic.vis.structurevisualizerplugin.StructureVisualizerPlugin method)
(httk.db.httkobjdbplugin.HttkObjDbPlugin method)
(httk.external.ase_glue.StructureAsePlugin method)
polyhedra() (httk.atomistic.vis.jmolstructurevisualizer.JmolStructureVisualizer method)
poscar_to_strs() (in module httk.iface.vasp_if)
poscar_to_structure() (in module httk.iface.vasp_if)
postconnect() (httk.atomistic.vis.jmolstructurevisualizer.JmolStructureVisualizer method)
pow() (in module httk.core.vectors.vectormath)
preconnect() (httk.atomistic.vis.jmolstructurevisualizer.JmolStructureVisualizer method)
prepare_single_run() (in module httk.iface.vasp_if)
primitive() (in module httk.external.pyspglib_ext)
primitive_from_conventional_cell() (in module httk.external.ase_glue)
print_citations() (in module httk.core.citation)
print_citations_at_exit() (in module httk.core.citation)
process() (in module httk.optimade.process)
process_init() (in module httk.optimade.process)
Project (class in httk)
(class in httk.core.project)
ProjectOwner (class in httk.core.project)
ProjectRef (class in httk)
(class in httk.core.project)
ProjectTag (class in httk)
(class in httk.core.project)
prototype_formula() (in module httk.atomistic.structureutils)
publickey() (in module httk.core.ed25519)
publish() (in module httk.httkweb.publish)
put() (httk.db.store.dictstore.DictStore method)
(httk.db.store.sqlstore.SqlStore method)
puts() (httk.db.store.dictstore.DictStore method)
(httk.db.store.dictstore.DictStore.Keeper method)
(httk.db.store.sqlstore.SqlStore method)
(httk.db.store.sqlstore.SqlStore.Keeper method)
Q
query() (httk.db.backend.sqlite.Sqlite method)
R
radians() (in module httk.core.vectors.vectormath)
random() (httk.core.vectors.fracvector.FracVector class method)
(httk.FracVector class method)
(httk.core.vectors.vector.Vector class method)
ratio (httk.atomistic.siteassignment.SiteAssignment attribute)
ratios (httk.atomistic.Assignments attribute)
(httk.atomistic.assignments.Assignments attribute)
(httk.atomistic.siteassignment.SiteAssignment attribute)
ratioslist (httk.atomistic.Assignments attribute)
(httk.atomistic.assignments.Assignments attribute)
rc (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
rc_a (httk.atomistic.RepresentativeStructure attribute)
(httk.atomistic.Structure attribute)
(httk.atomistic.representativestructure.RepresentativeStructure attribute)
(httk.atomistic.structure.Structure attribute)
rc_alpha (httk.atomistic.RepresentativeStructure attribute)
(httk.atomistic.Structure attribute)
(httk.atomistic.representativestructure.RepresentativeStructure attribute)
(httk.atomistic.structure.Structure attribute)
rc_b (httk.atomistic.RepresentativeStructure attribute)
(httk.atomistic.Structure attribute)
(httk.atomistic.representativestructure.RepresentativeStructure attribute)
(httk.atomistic.structure.Structure attribute)
rc_basis (httk.atomistic.RepresentativeStructure attribute)
(httk.atomistic.Structure attribute)
(httk.atomistic.representativestructure.RepresentativeStructure attribute)
(httk.atomistic.structure.Structure attribute)
rc_beta (httk.atomistic.RepresentativeStructure attribute)
(httk.atomistic.Structure attribute)
(httk.atomistic.representativestructure.RepresentativeStructure attribute)
(httk.atomistic.structure.Structure attribute)
rc_c (httk.atomistic.RepresentativeStructure attribute)
(httk.atomistic.Structure attribute)
(httk.atomistic.representativestructure.RepresentativeStructure attribute)
(httk.atomistic.structure.Structure attribute)
rc_cartesian_coordgroups (httk.atomistic.RepresentativeStructure attribute)
(httk.atomistic.Structure attribute)
(httk.atomistic.representativestructure.RepresentativeStructure attribute)
(httk.atomistic.structure.Structure attribute)
rc_cartesian_coords (httk.atomistic.RepresentativeStructure attribute)
(httk.atomistic.Structure attribute)
(httk.atomistic.representativestructure.RepresentativeStructure attribute)
(httk.atomistic.structure.Structure attribute)
rc_cartesian_occupationscoords (httk.atomistic.RepresentativeStructure attribute)
(httk.atomistic.Structure attribute)
(httk.atomistic.representativestructure.RepresentativeStructure attribute)
(httk.atomistic.structure.Structure attribute)
rc_cell_orientation (httk.atomistic.RepresentativeStructure attribute)
(httk.atomistic.Structure attribute)
(httk.atomistic.representativestructure.RepresentativeStructure attribute)
(httk.atomistic.structure.Structure attribute)
rc_counts (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
rc_gamma (httk.atomistic.RepresentativeStructure attribute)
(httk.atomistic.Structure attribute)
(httk.atomistic.representativestructure.RepresentativeStructure attribute)
(httk.atomistic.structure.Structure attribute)
rc_lengths_and_angles (httk.atomistic.RepresentativeStructure attribute)
(httk.atomistic.Structure attribute)
(httk.atomistic.representativestructure.RepresentativeStructure attribute)
(httk.atomistic.structure.Structure attribute)
rc_nbr_atoms (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
rc_occupancies (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
rc_occupationssymbols (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
rc_reduced_coordgroups (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
rc_reduced_coords (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
rc_structure_to_symbols_and_scaled_positions() (in module httk.iface.ase_if)
rc_volume (httk.atomistic.RepresentativeStructure attribute)
(httk.atomistic.Structure attribute)
(httk.atomistic.representativestructure.RepresentativeStructure attribute)
(httk.atomistic.structure.Structure attribute)
read_cif() (in module httk.httkio.cif)
read_config() (in module httk.config.config)
(in module httk.httkweb.helpers)
read_keys() (in module httk.core.crypto)
read_manifest() (in module httk.task.reader)
read_outcar() (in module httk.iface.vasp_if)
reader() (in module httk.task.reader)
readstruct() (in module httk.iface.openbabel_if_notstable)
receive() (httk.external.command.Command method)
reciprocal() (httk.core.vectors.fracvector.FracVector method)
(httk.FracVector method)
reduce_by_symops() (in module httk.atomistic.spacegrouputils)
reduced_coordgroups (httk.atomistic.sites.Sites attribute)
reduced_coordgroups_to_input() (in module httk.iface.isotropy_if)
reduced_coords (httk.atomistic.sites.Sites attribute)
reduced_to_cartesian() (in module httk.atomistic.structureutils)
Reference (class in httk)
(class in httk.core.reference)
refresh() (httk.atomistic.vis.jmolstructurevisualizer.JmolStructureVisualizer method)
render_page() (in module httk.httkweb.app_curses)
RenderHttk (class in httk.httkweb.render_httk)
RenderRst (class in httk.httkweb.render_rst)
repeat() (httk.atomistic.vis.jmolstructurevisualizer.JmolStructureVisualizer method)
RepresentativeSites (class in httk.atomistic)
(class in httk.atomistic.representativesites)
RepresentativeStructure (class in httk.atomistic)
(class in httk.atomistic.representativestructure)
request() (in module httk.optimade.validation.request)
RequestError
reset() (httk.db.filteredcollection.FilteredCollection method)
Result (class in httk)
(class in httk.core.computation)
Result_RelaxedCellResult (class in httk.atomistic.results.relaxedcellresult)
Result_TotalEnergyResult (class in httk.atomistic.results.totalenergyresult)
retrieve() (httk.db.storable.TrivialStore method)
(httk.db.store.dictstore.DictStore method)
(httk.db.store.sqlstore.SqlStore method)
(httk.db.store.trivialstore.TrivialStore method)
(httk.httkweb.webgenerator.WebGenerator method)
rewind() (httk.core.basic.rewindable_iterator method)
rewindable_iterator (class in httk.core.basic)
right_punctuation_chars (httk.httkweb.render_httk.RenderHttk attribute)
rollback() (httk.db.backend.sqlite.Sqlite method)
rotate() (httk.atomistic.vis.jmolstructurevisualizer.JmolStructureVisualizer method)
rst_light_html_renderer() (httk.httkweb.render_httk.RenderHttk method)
rst_light_parse_textstyle() (httk.httkweb.render_httk.RenderHttk method)
rst_light_parser() (httk.httkweb.render_httk.RenderHttk method)
run() (httk.external.command.Command method)
(in module httk.external.jmol)
(in module httk.optimade.validation.all)
run_alot() (in module httk.core.vectors.fracmath)
run_app() (in module httk.httkweb.app_qt5)
S
save() (httk.atomistic.atomisticio.structureioplugin.StructureIoPlugin method)
(httk.db.store.sqlstore.SqlStore method)
(in module httk)
(in module httk.httkio.save)
save_and_quit() (httk.atomistic.vis.jmolstructurevisualizer.JmolStructureVisualizer method)
save_struct() (in module httk.atomistic.atomisticio.structure_io)
Scalar (class in httk.core.vectors.vector)
scalarmult() (in module httk.core.ed25519)
scale_to_vol() (in module httk.atomistic.cellutils)
scaling() (httk.atomistic.Cell method)
(httk.atomistic.cell.Cell method)
(httk.atomistic.cellshape.CellShape method)
scaling_to_volume() (in module httk.atomistic.cellutils)
searcher() (httk.db.store.sqlstore.SqlStore method)
send() (httk.external.command.Command method)
serve() (in module httk.httkweb.serve)
(in module httk.optimade.serve)
set_common_denom() (httk.core.vectors.fracvector.FracVector class method)
(httk.FracVector class method)
set_defaults() (httk.atomistic.vis.jmolstructurevisualizer.JmolStructureVisualizer method)
set_denominator() (httk.core.vectors.fracvector.FracVector method)
(httk.FracVector method)
set_handler() (in module httk.optimade.optimade_filter_to_httk)
set_hull_data() (httk.analysis.matsci.phasediagram.PhaseDiagram method)
set_inv() (httk.core.vectors.mutablefracvector.MutableFracVector method)
(httk.MutableFracVector method)
set_limit() (httk.db.filteredcollection.FilteredCollection method)
set_mp_key() (in module httk.external.pymatgen_glue)
set_negative() (httk.core.vectors.mutablefracvector.MutableFracVector method)
(httk.MutableFracVector method)
set_normalize() (httk.core.vectors.mutablefracvector.MutableFracVector method)
(httk.MutableFracVector method)
set_normalize_half() (httk.core.vectors.mutablefracvector.MutableFracVector method)
(httk.MutableFracVector method)
set_set_denominator() (httk.core.vectors.mutablefracvector.MutableFracVector method)
(httk.MutableFracVector method)
set_simplify() (httk.core.vectors.mutablefracvector.MutableFracVector method)
(httk.MutableFracVector method)
set_T() (httk.core.vectors.mutablefracvector.MutableFracVector method)
(httk.MutableFracVector method)
setup() (in module httk.httkweb.helpers)
setup_phasediagram() (in module httk.atomistic.structurephasediagram)
setup_template_helpers() (in module httk.httkweb.helpers)
sha256file() (in module httk.core.crypto)
show() (httk.analysis.matsci.vis.phasediagramvisualizerplugin.PhaseDiagramVisualizerPlugin method)
(httk.atomistic.vis.asestructurevisualizer.AseStructureVisualizer method)
(httk.atomistic.vis.jmolstructurevisualizer.JmolStructureVisualizer method)
(httk.atomistic.vis.structurephasediagramvisualizerplugin.StructurePhaseDiagramVisualizerPlugin method)
(httk.atomistic.vis.structurevisualizerplugin.StructureVisualizerPlugin method)
(in module httk.external.gulp_ext)
sign() (httk.core.vectors.fracvector.FracVector method)
(httk.FracVector method)
(in module httk.core.vectors.vectormath)
Signature (class in httk)
(class in httk.core.signature)
signature() (in module httk.core.ed25519)
SignatureKey (class in httk)
(class in httk.core.signature)
simplex_le_solver() (in module httk.core.geometry)
simplify() (httk.core.vectors.fracvector.FracVector method)
(httk.FracVector method)
sin() (httk.core.vectors.fracvector.FracVector method)
(httk.FracVector method)
(in module httk.core.vectors.vectormath)
sinh() (in module httk.core.vectors.vectormath)
SiteAssignment (class in httk.atomistic.siteassignment)
Sites (class in httk.atomistic.sites)
sites_tidy() (in module httk.atomistic.sitesutils)
sites_to_platon() (in module httk.iface.platon_if)
sort_coordgroups() (in module httk.atomistic.sitesutils)
(in module httk.atomistic.structureutils)
Spacegroup (class in httk.atomistic.spacegroup)
spacegroup (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
spacegroup_filter() (in module httk.atomistic.spacegrouputils)
spacegroup_filter_specific() (in module httk.atomistic.spacegrouputils)
spacegroup_get_hall() (in module httk.atomistic.data.spacegroups)
(in module httk.atomistic.spacegrouputils)
spacegroup_get_hm() (in module httk.atomistic.data.spacegroups)
(in module httk.atomistic.spacegrouputils)
spacegroup_get_number() (in module httk.atomistic.data.spacegroups)
(in module httk.atomistic.spacegrouputils)
spacegroup_get_number_and_setting() (in module httk.atomistic.data.spacegroups)
(in module httk.atomistic.spacegrouputils)
spacegroup_get_number_of_settings() (in module httk.atomistic.data.spacegroups)
spacegroup_get_schoenflies() (in module httk.atomistic.data.spacegroups)
(in module httk.atomistic.spacegrouputils)
spacegroup_number (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
spacegroup_number_and_setting (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
spacegroup_parse() (in module httk.atomistic.spacegrouputils)
spglib_out_to_struct() (in module httk.iface.spglib_if)
spin() (httk.atomistic.vis.jmolstructurevisualizer.JmolStructureVisualizer method)
split_chars_strip_comments() (in module httk.core.miniparser)
split_content() (httk.httkweb.render_httk.RenderHttk method)
sql() (httk.db.filteredcollection.FCSqlite method)
sql_count() (httk.db.filteredcollection.FCSqlite method)
sql_query() (httk.db.filteredcollection.FCSqlite method)
Sqlite (class in httk.db.backend.sqlite)
Sqlite.SqliteCursor (class in httk.db.backend.sqlite)
SqlStore (class in httk.db.store.sqlstore)
SqlStore.Keeper (class in httk.db.store.sqlstore)
sqrt() (httk.core.vectors.fracvector.FracVector method)
(httk.FracVector method)
(in module httk.core.vectors.vectormath)
stack_vecs() (httk.core.vectors.fracvector.FracVector class method)
(httk.FracVector class method)
(httk.core.vectors.vector.Vector class method)
standard_order_axes_transform() (in module httk.atomistic.cellutils)
standard_primitive() (in module httk.external.aflow_ext)
start() (httk.external.command.Command method)
(in module httk.external.jmol)
startup() (in module httk.httkweb.webserver)
stdin (httk.external.command.Command attribute)
stop() (httk.atomistic.vis.jmolstructurevisualizer.JmolStructureVisualizer method)
(httk.external.command.Command method)
Storable (class in httk.db.storable)
storable_init() (httk.db.storable.Storable method)
storable_props() (in module httk.db.storable)
storable_types() (in module httk.db.storable)
store() (httk.db.httkobjdbplugin.HttkObjDbPlugin method)
store_codependent_data() (httk.db.httkobjdbplugin.HttkObjDbPlugin method)
store_table() (httk.db.filteredcollection.FCSqlite method)
(httk.db.filteredcollection.FilteredCollection method)
string (httk.core.ioadapters.IoAdapterString attribute)
(httk.IoAdapterString attribute)
string_handler() (in module httk.optimade.optimade_filter_to_httk)
string_to_val_and_delta() (in module httk.core.vectors.fracmath)
stringmatching_handler() (in module httk.optimade.optimade_filter_to_httk)
struct_process_with_isotropy() (in module httk.external.isotropy_ext)
struct_to_cif() (in module httk.atomistic.atomisticio.structure_cif_io)
struct_to_cif_httk_simplified() (in module httk.atomistic.atomisticio.structure_cif_io)
struct_to_cifdata() (in module httk.atomistic.atomisticio.structure_cif_io)
struct_to_input() (in module httk.iface.isotropy_if)
Structure (class in httk.atomistic)
(class in httk.atomistic.structure)
structure_addsym_and_tidy() (in module httk.external.platon_ext)
structure_features_length_handler() (in module httk.optimade.optimade_filter_to_httk)
structure_features_set_handler() (in module httk.optimade.optimade_filter_to_httk)
structure_reduced_coordgroups_to_representative() (in module httk.atomistic.sitesutils)
structure_reduced_uc_to_representative() (in module httk.atomistic.structureutils)
structure_tidy() (in module httk.atomistic.structureutils)
(in module httk.external.platon_ext)
structure_tidy_old() (in module httk.external.platon_ext)
structure_to_ase_atoms() (in module httk.external.ase_glue)
structure_to_comment() (in module httk.iface.vasp_if)
structure_to_gulp() (in module httk.iface.gulp_if)
structure_to_jmol() (in module httk.iface.jmol_if)
structure_to_p1structure() (in module httk.atomistic.structureutils)
structure_to_platon() (in module httk.iface.platon_if)
structure_to_poscar() (in module httk.iface.vasp_if)
structure_to_sgstructure() (in module httk.atomistic.structureutils)
(in module httk.external.platon_ext)
structure_to_spglib_atoms() (in module httk.external.pyspglib_ext)
StructureAsePlugin (class in httk.external.ase_glue)
StructureFormulaPlugin (class in httk.atomistic.formulautils)
StructureIoPlugin (class in httk.atomistic.atomisticio.structureioplugin)
StructurePhaseDiagram (class in httk.atomistic)
(class in httk.atomistic.structurephasediagram)
StructurePhaseDiagramCompetingIndicies (class in httk.atomistic.structurephasediagram)
StructurePhaseDiagramVisualizerPlugin (class in httk.atomistic.vis.structurephasediagramvisualizerplugin)
StructureRef (class in httk.atomistic)
(class in httk.atomistic.structure)
StructureSupercellPlugin (class in httk.atomistic.supercellutils)
StructureTag (class in httk.atomistic)
(class in httk.atomistic.structure)
StructureVisualizerPlugin (class in httk.atomistic.vis.structurevisualizerplugin)
subdata() (httk.db.filteredcollection.FCMultiDict method)
submit_reader() (in module httk.task.reader)
submodule_import_external() (in module httk.external.subimport)
subtable() (httk.db.filteredcollection.FCSqlite method)
supercell (httk.atomistic.Structure attribute)
(httk.atomistic.UnitcellStructure attribute)
(httk.atomistic.structure.Structure attribute)
(httk.atomistic.unitcellstructure.UnitcellStructure attribute)
symbol (httk.atomistic.assignment.Assignment attribute)
(httk.atomistic.siteassignment.SiteAssignment attribute)
symbollists (httk.atomistic.Assignments attribute)
(httk.atomistic.assignments.Assignments attribute)
symbols (httk.atomistic.Assignments attribute)
(httk.atomistic.Structure attribute)
(httk.atomistic.assignments.Assignments attribute)
(httk.atomistic.siteassignment.SiteAssignment attribute)
(httk.atomistic.structure.Structure attribute)
symopshash() (in module httk.atomistic.spacegrouputils)
symopsmatrix() (in module httk.atomistic.spacegrouputils)
symopstuple() (in module httk.atomistic.spacegrouputils)
T
T() (httk.core.vectors.fracvector.FracVector method)
(httk.FracVector method)
table() (httk.db.filteredcollection.FCSqlite method)
table_exists() (httk.db.backend.sqlite.Sqlite method)
TableOrColumn (class in httk.db.filteredcollection)
tan() (in module httk.core.vectors.vectormath)
tanh() (in module httk.core.vectors.vectormath)
TemplateEngineHttk (class in httk.httkweb.templateengine_httk)
TemplateEngineTemplator (class in httk.httkweb.templateengine_templator)
text() (httk.httkweb.app_curses.MyHTMLParser method)
tidy() (httk.atomistic.RepresentativeSites method)
(httk.atomistic.Structure method)
(httk.atomistic.representativesites.RepresentativeSites method)
(httk.atomistic.structure.Structure method)
timestamp_handler() (in module httk.optimade.optimade_filter_to_httk)
to() (httk.core.httkobject.HttkObject method)
(httk.HttkObject method)
to_Atoms() (httk.external.ase_glue.StructureAsePlugin method)
to_basis() (httk.atomistic.Assignments method)
(httk.atomistic.assignments.Assignments method)
(httk.atomistic.siteassignment.SiteAssignment method)
to_float() (httk.core.vectors.fracvector.FracVector method)
(httk.FracVector method)
to_floats() (httk.core.vectors.fracvector.FracVector method)
(httk.FracVector method)
to_fraction() (httk.core.vectors.fracvector.FracVector method)
(httk.FracVector method)
to_fractions() (httk.core.vectors.fracvector.FracVector method)
(httk.FracVector method)
to_FracVector() (httk.core.vectors.mutablefracvector.MutableFracVector method)
(httk.MutableFracVector method)
to_int() (httk.core.vectors.fracvector.FracVector method)
(httk.FracVector method)
to_ints() (httk.core.vectors.fracvector.FracVector method)
(httk.FracVector method)
to_string() (httk.core.vectors.fracvector.FracVector method)
(httk.FracVector method)
to_strings() (httk.core.vectors.fracvector.FracVector method)
(httk.FracVector method)
to_tuple() (httk.core.httkobject.HttkObject method)
(httk.FracVector method)
(httk.HttkObject method)
(httk.core.vectors.fracvector.FracVector method)
total_number_of_atoms (httk.atomistic.RepresentativeSites attribute)
(httk.atomistic.UnitcellSites attribute)
(httk.atomistic.representativesites.RepresentativeSites attribute)
(httk.atomistic.sites.Sites attribute)
(httk.atomistic.unitcellsites.UnitcellSites attribute)
transform() (httk.atomistic.Structure method)
(httk.atomistic.UnitcellStructure method)
(httk.atomistic.structure.Structure method)
(httk.atomistic.unitcellstructure.UnitcellStructure method)
(in module httk.atomistic.structureutils)
TranslatorError
trivial_symmetry_reduce() (in module httk.atomistic.spacegrouputils)
TrivialStore (class in httk.db.storable)
(class in httk.db.store.trivialstore)
trivialstore (httk.db.storable.Storable attribute)
true_handler() (in module httk.optimade.optimade_filter_to_httk)
trunc() (in module httk.core.vectors.vectormath)
tuple_eye() (in module httk.core.vectors.fracvector)
(in module httk.core.vectors.vector)
tuple_index() (in module httk.core.vectors.fracvector)
(in module httk.core.vectors.vector)
tuple_random() (in module httk.core.vectors.fracvector)
(in module httk.core.vectors.vector)
tuple_slice() (in module httk.core.vectors.fracvector)
(in module httk.core.vectors.vector)
tuple_to_hexhash() (in module httk.core.crypto)
tuple_to_str() (in module httk.core.basic)
(in module httk.core.crypto)
tuple_zeros() (in module httk.core.vectors.fracvector)
(in module httk.core.vectors.vector)
types() (httk.core.httkobject.HttkObject class method)
(httk.HttkObject class method)
U
uc (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
uc_a (httk.atomistic.Structure attribute)
(httk.atomistic.UnitcellStructure attribute)
(httk.atomistic.structure.Structure attribute)
(httk.atomistic.unitcellstructure.UnitcellStructure attribute)
uc_alpha (httk.atomistic.Structure attribute)
(httk.atomistic.UnitcellStructure attribute)
(httk.atomistic.structure.Structure attribute)
(httk.atomistic.unitcellstructure.UnitcellStructure attribute)
uc_b (httk.atomistic.Structure attribute)
(httk.atomistic.UnitcellStructure attribute)
(httk.atomistic.structure.Structure attribute)
(httk.atomistic.unitcellstructure.UnitcellStructure attribute)
uc_basis (httk.atomistic.Structure attribute)
(httk.atomistic.UnitcellStructure attribute)
(httk.atomistic.structure.Structure attribute)
(httk.atomistic.unitcellstructure.UnitcellStructure attribute)
uc_beta (httk.atomistic.Structure attribute)
(httk.atomistic.UnitcellStructure attribute)
(httk.atomistic.structure.Structure attribute)
(httk.atomistic.unitcellstructure.UnitcellStructure attribute)
uc_c (httk.atomistic.Structure attribute)
(httk.atomistic.UnitcellStructure attribute)
(httk.atomistic.structure.Structure attribute)
(httk.atomistic.unitcellstructure.UnitcellStructure attribute)
uc_cartesian_coordgroups (httk.atomistic.Structure attribute)
(httk.atomistic.UnitcellStructure attribute)
(httk.atomistic.structure.Structure attribute)
(httk.atomistic.unitcellstructure.UnitcellStructure attribute)
uc_cartesian_coords (httk.atomistic.Structure attribute)
(httk.atomistic.UnitcellStructure attribute)
(httk.atomistic.structure.Structure attribute)
(httk.atomistic.unitcellstructure.UnitcellStructure attribute)
uc_cartesian_occupationscoords (httk.atomistic.Structure attribute)
(httk.atomistic.UnitcellStructure attribute)
(httk.atomistic.structure.Structure attribute)
(httk.atomistic.unitcellstructure.UnitcellStructure attribute)
uc_cell (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
uc_cell_orientation (httk.atomistic.Structure attribute)
(httk.atomistic.UnitcellStructure attribute)
(httk.atomistic.structure.Structure attribute)
(httk.atomistic.unitcellstructure.UnitcellStructure attribute)
uc_counts (httk.atomistic.Structure attribute)
(httk.atomistic.UnitcellStructure attribute)
(httk.atomistic.structure.Structure attribute)
(httk.atomistic.unitcellstructure.UnitcellStructure attribute)
uc_formula (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
uc_formula_counts (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
uc_formula_parts (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
uc_formula_symbols (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
uc_gamma (httk.atomistic.Structure attribute)
(httk.atomistic.UnitcellStructure attribute)
(httk.atomistic.structure.Structure attribute)
(httk.atomistic.unitcellstructure.UnitcellStructure attribute)
uc_lengths_and_angles (httk.atomistic.Structure attribute)
(httk.atomistic.UnitcellStructure attribute)
(httk.atomistic.structure.Structure attribute)
(httk.atomistic.unitcellstructure.UnitcellStructure attribute)
uc_nbr_atoms (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
uc_occupancies (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
uc_occupationssymbols (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
uc_reduced_coordgroups (httk.atomistic.Structure attribute)
(httk.atomistic.UnitcellStructure attribute)
(httk.atomistic.structure.Structure attribute)
(httk.atomistic.unitcellstructure.UnitcellStructure attribute)
uc_reduced_coordgroups_process_with_isotropy() (in module httk.external.isotropy_ext)
uc_reduced_coords (httk.atomistic.Structure attribute)
(httk.atomistic.UnitcellStructure attribute)
(httk.atomistic.structure.Structure attribute)
(httk.atomistic.unitcellstructure.UnitcellStructure attribute)
uc_reduced_occupationscoords (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
uc_sites (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
uc_structure_to_symbols_and_scaled_positions() (in module httk.iface.ase_if)
uc_volume (httk.atomistic.Structure attribute)
(httk.atomistic.UnitcellStructure attribute)
(httk.atomistic.structure.Structure attribute)
(httk.atomistic.unitcellstructure.UnitcellStructure attribute)
uc_volume_per_atom (httk.atomistic.RepresentativeStructure attribute)
(httk.atomistic.UnitcellStructure attribute)
(httk.atomistic.representativestructure.RepresentativeStructure attribute)
(httk.atomistic.unitcellstructure.UnitcellStructure attribute)
UnaryBooleanOp (class in httk.db.filteredcollection)
UnitcellSites (class in httk.atomistic)
(class in httk.atomistic.unitcellsites)
UnitcellStructure (class in httk.atomistic)
(class in httk.atomistic.unitcellstructure)
universal_opener() (in module httk.core.ioadapters)
unknown_comparison_handler() (in module httk.optimade.optimade_filter_to_httk)
unknown_has_handler() (in module httk.optimade.optimade_filter_to_httk)
unknown_length_handler() (in module httk.optimade.optimade_filter_to_httk)
unknown_stringmatching_handler() (in module httk.optimade.optimade_filter_to_httk)
unknown_unknown_handler() (in module httk.optimade.optimade_filter_to_httk)
UnquotedStr (class in httk.httkweb.helpers)
update() (httk.db.backend.sqlite.Sqlite method)
update_metadata() (httk.httkweb.webgenerator.Page method)
update_row() (httk.db.backend.sqlite.Sqlite method)
use() (httk.atomistic.assignment.Assignment class method)
(httk.FracVector class method)
(httk.HttkObject class method)
(httk.IoAdapterFileAppender class method)
(httk.IoAdapterFileReader class method)
(httk.IoAdapterFileWriter class method)
(httk.IoAdapterString class method)
(httk.IoAdapterStringList class method)
,
[1]
(httk.MutableFracVector class method)
(httk.atomistic.Assignments class method)
(httk.atomistic.Cell class method)
(httk.atomistic.RepresentativeStructure class method)
(httk.atomistic.Structure class method)
(httk.atomistic.UnitcellStructure class method)
(httk.atomistic.assignments.Assignments class method)
(httk.atomistic.cell.Cell class method)
(httk.atomistic.representativestructure.RepresentativeStructure class method)
(httk.atomistic.siteassignment.SiteAssignment class method)
(httk.atomistic.sites.Sites class method)
(httk.atomistic.structure.Structure class method)
(httk.atomistic.unitcellstructure.UnitcellStructure class method)
(httk.core.httkobject.HttkObject class method)
(httk.core.ioadapters.IoAdapterFileAppender class method)
(httk.core.ioadapters.IoAdapterFileReader class method)
(httk.core.ioadapters.IoAdapterFileWriter class method)
(httk.core.ioadapters.IoAdapterFilename class method)
(httk.core.ioadapters.IoAdapterString class method)
(httk.core.ioadapters.IoAdapterStringList class method)
(httk.core.vectors.fracvector.FracVector class method)
(httk.core.vectors.mutablefracvector.MutableFracVector class method)
(httk.core.vectors.vector.Vector class method)
V
val_to_tuple() (in module httk.atomistic.spacegrouputils)
validate() (httk.core.vectors.fracvector.FracVector method)
(httk.FracVector method)
(httk.MutableFracVector method)
(httk.core.vectors.mutablefracvector.MutableFracVector method)
validate_base_info() (in module httk.optimade.validation.base_info)
validate_base_info_request() (in module httk.optimade.validation.base_info)
validate_headers() (in module httk.optimade.validation.headers)
validate_optimade_request() (in module httk.optimade.validate)
validate_response() (in module httk.optimade.validation.response)
validate_response_request() (in module httk.optimade.validation.response)
validate_single_entry_request() (in module httk.optimade.validation.entry)
variable() (httk.db.filteredcollection.FilteredCollection method)
(httk.db.storable.Storable class method)
Vector (class in httk.core.vectors.vector)
verify_crytpo_signature() (in module httk.core.crypto)
verify_crytpo_signature_old() (in module httk.core.crypto)
vformat() (httk.httkweb.templateengine_httk.HttkTemplateFormatter method)
vis (httk.analysis.matsci.phasediagram.PhaseDiagram attribute)
vol_to_scale() (in module httk.atomistic.cellutils)
volume (httk.atomistic.Cell attribute)
(httk.atomistic.cell.Cell attribute)
volume_per_atom (httk.atomistic.Structure attribute)
(httk.atomistic.structure.Structure attribute)
W
wait() (httk.analysis.matsci.vis.phasediagramvisualizerplugin.PhaseDiagramVisualizerPlugin method)
(httk.atomistic.vis.asestructurevisualizer.AseStructureVisualizer method)
(httk.atomistic.vis.jmolstructurevisualizer.JmolStructureVisualizer method)
(httk.atomistic.vis.structurevisualizerplugin.StructureVisualizerPlugin method)
wait_finish() (httk.external.command.Command method)
WebError
WebGenerator (class in httk.httkweb.webgenerator)
WebviewCurses (class in httk.httkweb.app_curses)
write_cif() (in module httk.httkio.cif)
write_generic_kpoints_file() (in module httk.iface.vasp_if)
write_kpoints_file() (in module httk.iface.vasp_if)
write_poscar() (in module httk.iface.vasp_if)
wsgi_get_request() (in module httk.httkweb.wsgi)
wyckoff_sequence (httk.atomistic.Compound attribute)
(httk.atomistic.RepresentativeSites attribute)
(httk.atomistic.Structure attribute)
(httk.atomistic.compound.Compound attribute)
(httk.atomistic.representativesites.RepresentativeSites attribute)
(httk.atomistic.structure.Structure attribute)
wyckoff_symbol_matcher() (in module httk.atomistic.spacegrouputils)
X
xrecover() (in module httk.core.ed25519)
Z
zdecompressor() (in module httk.core.ioadapters)
zeros() (httk.core.vectors.fracvector.FracVector class method)
(httk.FracVector class method)
(httk.core.vectors.vector.Vector class method)
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httk 1.2.0.dev36+gcea9c9b documentation
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