Index

_

__init__() (matmethods.feff.database.MMFeffDb method) (matmethods.feff.fireworks.core.EELSFW method) (matmethods.feff.fireworks.core.XASFW method) (matmethods.lammps.database.MMLammpsDb method) (matmethods.utils.database.MMDb method) (matmethods.utils.fileio.FileClient method) (matmethods.vasp.builders.boltztrap_materials.BoltztrapMaterialsBuilder method) (matmethods.vasp.builders.file_materials.FileMaterialsBuilder method) (matmethods.vasp.builders.fix_tasks.FixTasksBuilder method) (matmethods.vasp.builders.materials_ehull.MaterialsEhullBuilder method) (matmethods.vasp.builders.tags_collector.TagsBuilder method) (matmethods.vasp.builders.tasks_materials.TasksMaterialsBuilder method) (matmethods.vasp.database.MMVaspDb method) (matmethods.vasp.drones.VaspDrone method) (matmethods.vasp.fireworks.core.BoltztrapFW method) (matmethods.vasp.fireworks.core.HSEBSFW method) (matmethods.vasp.fireworks.core.LepsFW method) (matmethods.vasp.fireworks.core.MDFW method) (matmethods.vasp.fireworks.core.NonSCFFW method) (matmethods.vasp.fireworks.core.OptimizeFW method) (matmethods.vasp.fireworks.core.SOCFW method) (matmethods.vasp.fireworks.core.StaticFW method) (matmethods.vasp.fireworks.core.TransmuterFW method) (matmethods.vasp.submission_filter.SubmissionFilter method)

A

A_vib() (in module matmethods.tools.analysis) abspath() (matmethods.utils.fileio.FileClient method) AbstractBuilder (class in matmethods.vasp.builders.base) add_additional_fields_to_taskdocs() (in module matmethods.vasp.powerups) add_bandgap_check() (in module matmethods.vasp.powerups) add_common_powerups() (in module matmethods.vasp.powerups) add_modify_incar() (in module matmethods.vasp.powerups) add_modify_incar_envchk() (in module matmethods.vasp.powerups) add_namefile() (in module matmethods.vasp.powerups)

add_priority() (in module matmethods.vasp.powerups) add_small_gap_multiply() (in module matmethods.vasp.powerups) add_stability_check() (in module matmethods.vasp.powerups) add_tags() (in module matmethods.vasp.powerups) add_trackers() (in module matmethods.vasp.powerups) add_wf_metadata() (in module matmethods.vasp.powerups) append_fw_wf() (in module matmethods.utils.utils) as_dict() (matmethods.vasp.drones.VaspDrone method) (matmethods.vasp.submission_filter.SubmissionFilter method) assimilate() (matmethods.vasp.drones.VaspDrone method)

B

BoltztrapFW (class in matmethods.vasp.fireworks.core) BoltztrapMaterialsBuilder (class in matmethods.vasp.builders.boltztrap_materials) BoltztrapToDBTask (class in matmethods.vasp.firetasks.parse_outputs)

build_indexes() (matmethods.feff.database.MMFeffDb method) (matmethods.lammps.database.MMLammpsDb method) (matmethods.utils.database.MMDb method) (matmethods.vasp.database.MMVaspDb method)

C

check_keys() (matmethods.vasp.drones.VaspDrone method) CheckBandgap (class in matmethods.vasp.firetasks.glue_tasks)

CheckStability (class in matmethods.vasp.firetasks.glue_tasks) copy() (matmethods.utils.fileio.FileClient method) CopyVaspOutputs (class in matmethods.vasp.firetasks.glue_tasks)

D

debye_integral() (in module matmethods.tools.analysis)

debye_temperature_gibbs() (in module matmethods.tools.analysis)

E

EELSFW (class in matmethods.feff.fireworks.core) ElasticTensorToDbTask (class in matmethods.vasp.firetasks.parse_outputs)

env_chk() (in module matmethods.utils.utils) exists() (matmethods.utils.fileio.FileClient static method)

F

FileClient (class in matmethods.utils.fileio) FileMaterialsBuilder (class in matmethods.vasp.builders.file_materials) filter_files() (matmethods.vasp.drones.VaspDrone method) FitEquationOfStateTask (class in matmethods.vasp.firetasks.parse_outputs) FixTasksBuilder (class in matmethods.vasp.builders.fix_tasks) from_db_file() (matmethods.utils.database.MMDb class method) from_dict() (matmethods.vasp.drones.VaspDrone class method) (matmethods.vasp.submission_filter.SubmissionFilter class method)

from_file() (matmethods.vasp.builders.base.AbstractBuilder class method) (matmethods.vasp.builders.boltztrap_materials.BoltztrapMaterialsBuilder class method) (matmethods.vasp.builders.file_materials.FileMaterialsBuilder class method) (matmethods.vasp.builders.fix_tasks.FixTasksBuilder class method) (matmethods.vasp.builders.materials_ehull.MaterialsEhullBuilder class method) (matmethods.vasp.builders.tags_collector.TagsBuilder class method) (matmethods.vasp.builders.tasks_materials.TasksMaterialsBuilder class method) FuncTest (class in matmethods.utils.tests.test_loaders)

G

generate_doc() (matmethods.vasp.drones.VaspDrone method) get_all_absorbing_atoms() (in module matmethods.feff.utils) get_band_structure() (matmethods.vasp.database.MMVaspDb method) get_basic_processed_data() (matmethods.vasp.drones.VaspDrone method) get_calc_loc() (in module matmethods.utils.utils) get_collection() (in module matmethods.tools.post_process.gibbs) get_data() (in module matmethods.tools.post_process.gibbs) get_db() (in module matmethods.tools.post_process.gibbs) get_debye_model_gibbs() (in module matmethods.tools.analysis) get_dos() (matmethods.vasp.database.MMVaspDb method) get_freq_intensities() (in module matmethods.tools.post_process.plot_raman) get_fws_and_tasks() (in module matmethods.utils.utils) get_gibbs() (in module matmethods.tools.post_process.gibbs) get_logger() (in module matmethods.utils.utils) get_meta_from_structure() (in module matmethods.utils.utils) get_mongolike() (in module matmethods.utils.utils) get_phonopy() (in module matmethods.tools.post_process.gibbs) get_phonopy_gibbs() (in module matmethods.tools.analysis)

get_phonopy_qha() (in module matmethods.tools.analysis) get_phonopy_thermal_expansion() (in module matmethods.tools.analysis) get_ssh_connection() (matmethods.utils.fileio.FileClient static method) get_task_doc() (matmethods.vasp.drones.VaspDrone method) get_valid_paths() (matmethods.vasp.drones.VaspDrone method) get_wf() (in module matmethods.lammps.workflows.core) (in module matmethods.vasp.workflows.base.core) get_wf_bulk_modulus() (in module matmethods.vasp.workflows.base.bulk_modulus) get_wf_deformations() (in module matmethods.vasp.workflows.base.deformations) get_wf_eels() (in module matmethods.feff.workflows.eels) get_wf_elastic_constant() (in module matmethods.vasp.workflows.base.elastic) get_wf_from_spec_dict() (in module matmethods.utils.utils) get_wf_gibbs_free_energy() (in module matmethods.vasp.workflows.base.gibbs) get_wf_raman_spectra() (in module matmethods.vasp.workflows.base.raman) get_wf_thermal_expansion() (in module matmethods.vasp.workflows.base.thermal_expansion) get_wf_xas() (in module matmethods.feff.workflows.xas) gibbs_minimizer() (in module matmethods.tools.analysis) GibbsFreeEnergyTask (class in matmethods.vasp.firetasks.parse_outputs) glob() (matmethods.utils.fileio.FileClient method)

H

HSEBSFW (class in matmethods.vasp.fireworks.core)

I

insert() (matmethods.utils.database.MMDb method)

insert_gridfs() (matmethods.vasp.database.MMVaspDb method)

L

LammpsToDBTask (class in matmethods.lammps.firetasks.parse_outputs) LepsFW (class in matmethods.vasp.fireworks.core)

listdir() (matmethods.utils.fileio.FileClient method) load_class() (in module matmethods.utils.utils) lorentzian() (in module matmethods.tools.post_process.plot_raman)

M

MaterialsEhullBuilder (class in matmethods.vasp.builders.materials_ehull) matmethods (module) matmethods.common (module) matmethods.common.firetasks (module) matmethods.common.firetasks.glue_tasks (module) matmethods.common.firetasks.parse_outputs (module) matmethods.common.firetasks.tests (module) matmethods.common.firetasks.tests.test_glue_tasks (module) matmethods.feff (module) matmethods.feff.database (module) matmethods.feff.firetasks (module) matmethods.feff.firetasks.parse_outputs (module) matmethods.feff.firetasks.run_calc (module) matmethods.feff.firetasks.write_inputs (module) matmethods.feff.fireworks (module) matmethods.feff.fireworks.core (module) matmethods.feff.utils (module) matmethods.feff.workflows (module) matmethods.feff.workflows.eels (module) matmethods.feff.workflows.xas (module) matmethods.lammps (module) matmethods.lammps.database (module) matmethods.lammps.firetasks (module) matmethods.lammps.firetasks.parse_outputs (module) matmethods.lammps.firetasks.run_calc (module) matmethods.lammps.firetasks.write_inputs (module) matmethods.lammps.workflows (module) matmethods.lammps.workflows.core (module) matmethods.lammps.workflows.presets (module) matmethods.tools (module) matmethods.tools.analysis (module) matmethods.tools.post_process (module) matmethods.tools.post_process.gibbs (module) matmethods.tools.post_process.plot_raman (module) matmethods.utils (module) matmethods.utils.database (module) matmethods.utils.fileio (module) matmethods.utils.tests (module) matmethods.utils.tests.test_loaders (module) matmethods.utils.tests.test_utils (module) matmethods.utils.utils (module) matmethods.vasp (module) matmethods.vasp.builders (module) matmethods.vasp.builders.base (module) matmethods.vasp.builders.boltztrap_materials (module) matmethods.vasp.builders.example_build (module)

matmethods.vasp.builders.file_materials (module) matmethods.vasp.builders.fix_tasks (module) matmethods.vasp.builders.materials_ehull (module) matmethods.vasp.builders.tags_collector (module) matmethods.vasp.builders.tasks_materials (module) matmethods.vasp.config (module) matmethods.vasp.database (module) matmethods.vasp.drones (module) matmethods.vasp.firetasks (module) matmethods.vasp.firetasks.glue_tasks (module) matmethods.vasp.firetasks.parse_outputs (module) matmethods.vasp.firetasks.run_calc (module) matmethods.vasp.firetasks.write_inputs (module) matmethods.vasp.fireworks (module) matmethods.vasp.fireworks.core (module) matmethods.vasp.powerups (module) matmethods.vasp.submission_filter (module) matmethods.vasp.tests (module) matmethods.vasp.tests.test_copy (module) matmethods.vasp.tests.test_drones (module) matmethods.vasp.tests.test_setup (module) matmethods.vasp.tests.test_vasp_powerups (module) matmethods.vasp.tests.test_vasp_workflows (module) matmethods.vasp.tests.test_write_vasp (module) matmethods.vasp.vasp_config (module) matmethods.vasp.vasp_powerups (module) matmethods.vasp.workflows (module) matmethods.vasp.workflows.base (module) matmethods.vasp.workflows.base.bulk_modulus (module) matmethods.vasp.workflows.base.core (module) matmethods.vasp.workflows.base.deformations (module) matmethods.vasp.workflows.base.elastic (module) matmethods.vasp.workflows.base.gibbs (module) matmethods.vasp.workflows.base.raman (module) matmethods.vasp.workflows.base.thermal_expansion (module) matmethods.vasp.workflows.presets (module) matmethods.vasp.workflows.presets.core (module) MDFW (class in matmethods.vasp.fireworks.core) mid_str() (matmethods.vasp.builders.tasks_materials.TasksMaterialsBuilder method) MMBoltztrapDb (class in matmethods.vasp.database) MMDb (class in matmethods.utils.database) MMFeffDb (class in matmethods.feff.database) MMLammpsDb (class in matmethods.lammps.database) MMVaspDb (class in matmethods.vasp.database) modify_to_soc() (in module matmethods.vasp.powerups) ModifyIncar (class in matmethods.vasp.firetasks.write_inputs)

N

NO_POTCARS (matmethods.vasp.submission_filter.SubmissionFilter attribute)

NonSCFFW (class in matmethods.vasp.fireworks.core) nvt_wf() (in module matmethods.lammps.workflows.presets)

O

OptimizeFW (class in matmethods.vasp.fireworks.core) optional_params (matmethods.common.firetasks.glue_tasks.PassCalcLocs attribute) (matmethods.common.firetasks.parse_outputs.ToDbTask attribute) (matmethods.feff.firetasks.parse_outputs.SpectrumToDbTask attribute) (matmethods.feff.firetasks.write_inputs.WriteFeffFromIOSet attribute) (matmethods.lammps.firetasks.parse_outputs.LammpsToDBTask attribute) (matmethods.lammps.firetasks.run_calc.RunPackmol attribute) (matmethods.lammps.firetasks.write_inputs.WritelammpsInputFromDictInput attribute) (matmethods.vasp.firetasks.glue_tasks.CheckBandgap attribute) (matmethods.vasp.firetasks.glue_tasks.CheckStability attribute) (matmethods.vasp.firetasks.glue_tasks.CopyVaspOutputs attribute) (matmethods.vasp.firetasks.glue_tasks.PassNormalmodesTask attribute) (matmethods.vasp.firetasks.parse_outputs.BoltztrapToDBTask attribute) (matmethods.vasp.firetasks.parse_outputs.ElasticTensorToDbTask attribute) (matmethods.vasp.firetasks.parse_outputs.GibbsFreeEnergyTask attribute) (matmethods.vasp.firetasks.parse_outputs.RamanSusceptibilityTensorToDbTask attribute) (matmethods.vasp.firetasks.parse_outputs.ThermalExpansionCoeffTask attribute) (matmethods.vasp.firetasks.parse_outputs.VaspToDbTask attribute) (matmethods.vasp.firetasks.run_calc.RunBoltztrap attribute) (matmethods.vasp.firetasks.run_calc.RunVaspCustodian attribute) (matmethods.vasp.firetasks.run_calc.RunVaspCustodianFromObjects attribute) (matmethods.vasp.firetasks.run_calc.RunVaspFake attribute) (matmethods.vasp.firetasks.write_inputs.ModifyIncar attribute) (matmethods.vasp.firetasks.write_inputs.WriteTransmutedStructureIOSet attribute) (matmethods.vasp.firetasks.write_inputs.WriteVaspFromIOSet attribute) (matmethods.vasp.firetasks.write_inputs.WriteVaspFromPMGObjects attribute) (matmethods.vasp.firetasks.write_inputs.WriteVaspHSEBSFromPrev attribute) (matmethods.vasp.firetasks.write_inputs.WriteVaspNSCFFromPrev attribute) (matmethods.vasp.firetasks.write_inputs.WriteVaspSOCFromPrev attribute) (matmethods.vasp.firetasks.write_inputs.WriteVaspStaticFromPrev attribute)

P

PassCalcLocs (class in matmethods.common.firetasks.glue_tasks) PassEpsilonTask (class in matmethods.vasp.firetasks.glue_tasks) PassNormalmodesTask (class in matmethods.vasp.firetasks.glue_tasks) PassStressStrainData (class in matmethods.vasp.firetasks.glue_tasks)

plot_spectrum() (in module matmethods.tools.post_process.plot_raman) post_process() (matmethods.vasp.drones.VaspDrone method) process_outcar() (matmethods.vasp.drones.VaspDrone method) process_vasprun() (matmethods.vasp.drones.VaspDrone method)

R

raman_intensity() (in module matmethods.tools.post_process.plot_raman) RamanSusceptibilityTensorToDbTask (class in matmethods.vasp.firetasks.parse_outputs) remove_custodian() (in module matmethods.vasp.powerups) remove_leaf_fws() (in module matmethods.utils.utils) required_params (matmethods.common.firetasks.glue_tasks.PassCalcLocs attribute) (matmethods.common.firetasks.parse_outputs.ToDbTask attribute) (matmethods.feff.firetasks.parse_outputs.SpectrumToDbTask attribute) (matmethods.feff.firetasks.run_calc.RunFeffDirect attribute) (matmethods.feff.firetasks.write_inputs.WriteFeffFromIOSet attribute) (matmethods.lammps.firetasks.parse_outputs.LammpsToDBTask attribute) (matmethods.lammps.firetasks.run_calc.RunLammpsDirect attribute) (matmethods.lammps.firetasks.run_calc.RunPackmol attribute) (matmethods.lammps.firetasks.write_inputs.WritelammpsInputFromDictInput attribute) (matmethods.vasp.firetasks.glue_tasks.CheckBandgap attribute) (matmethods.vasp.firetasks.glue_tasks.CheckStability attribute) (matmethods.vasp.firetasks.glue_tasks.PassEpsilonTask attribute) (matmethods.vasp.firetasks.glue_tasks.PassStressStrainData attribute) (matmethods.vasp.firetasks.parse_outputs.ElasticTensorToDbTask attribute) (matmethods.vasp.firetasks.parse_outputs.FitEquationOfStateTask attribute) (matmethods.vasp.firetasks.parse_outputs.GibbsFreeEnergyTask attribute) (matmethods.vasp.firetasks.parse_outputs.ThermalExpansionCoeffTask attribute) (matmethods.vasp.firetasks.run_calc.RunVaspCustodian attribute) (matmethods.vasp.firetasks.run_calc.RunVaspCustodianFromObjects attribute) (matmethods.vasp.firetasks.run_calc.RunVaspDirect attribute) (matmethods.vasp.firetasks.run_calc.RunVaspFake attribute) (matmethods.vasp.firetasks.write_inputs.WriteNormalmodeDisplacedPoscar attribute) (matmethods.vasp.firetasks.write_inputs.WriteTransmutedStructureIOSet attribute) (matmethods.vasp.firetasks.write_inputs.WriteVaspFromIOSet attribute) (matmethods.vasp.firetasks.write_inputs.WriteVaspHSEBSFromPrev attribute) (matmethods.vasp.firetasks.write_inputs.WriteVaspNSCFFromPrev attribute) (matmethods.vasp.firetasks.write_inputs.WriteVaspSOCFromPrev attribute) (matmethods.vasp.firetasks.write_inputs.WriteVaspStaticFromPrev attribute) reset() (matmethods.feff.database.MMFeffDb method) (matmethods.lammps.database.MMLammpsDb method) (matmethods.utils.database.MMDb method) (matmethods.vasp.builders.base.AbstractBuilder method) (matmethods.vasp.builders.boltztrap_materials.BoltztrapMaterialsBuilder method) (matmethods.vasp.builders.file_materials.FileMaterialsBuilder method) (matmethods.vasp.builders.fix_tasks.FixTasksBuilder method) (matmethods.vasp.builders.materials_ehull.MaterialsEhullBuilder method) (matmethods.vasp.builders.tags_collector.TagsBuilder method) (matmethods.vasp.builders.tasks_materials.TasksMaterialsBuilder method) (matmethods.vasp.database.MMVaspDb method) run() (in module matmethods.tools.post_process.plot_raman) (matmethods.vasp.builders.base.AbstractBuilder method) (matmethods.vasp.builders.boltztrap_materials.BoltztrapMaterialsBuilder method) (matmethods.vasp.builders.file_materials.FileMaterialsBuilder method) (matmethods.vasp.builders.fix_tasks.FixTasksBuilder method) (matmethods.vasp.builders.materials_ehull.MaterialsEhullBuilder method) (matmethods.vasp.builders.tags_collector.TagsBuilder method) (matmethods.vasp.builders.tasks_materials.TasksMaterialsBuilder method)

run_task() (matmethods.common.firetasks.glue_tasks.PassCalcLocs method) (matmethods.common.firetasks.parse_outputs.ToDbTask method) (matmethods.feff.firetasks.parse_outputs.SpectrumToDbTask method) (matmethods.feff.firetasks.run_calc.RunFeffDirect method) (matmethods.feff.firetasks.write_inputs.WriteFeffFromIOSet method) (matmethods.lammps.firetasks.parse_outputs.LammpsToDBTask method) (matmethods.lammps.firetasks.run_calc.RunLammpsDirect method) (matmethods.lammps.firetasks.run_calc.RunPackmol method) (matmethods.lammps.firetasks.write_inputs.WritelammpsInputFromDictInput method) (matmethods.utils.tests.test_utils.Task1 method) (matmethods.utils.tests.test_utils.Task2 method) (matmethods.vasp.firetasks.glue_tasks.CheckBandgap method) (matmethods.vasp.firetasks.glue_tasks.CheckStability method) (matmethods.vasp.firetasks.glue_tasks.CopyVaspOutputs method) (matmethods.vasp.firetasks.glue_tasks.PassEpsilonTask method) (matmethods.vasp.firetasks.glue_tasks.PassNormalmodesTask method) (matmethods.vasp.firetasks.glue_tasks.PassStressStrainData method) (matmethods.vasp.firetasks.parse_outputs.BoltztrapToDBTask method) (matmethods.vasp.firetasks.parse_outputs.ElasticTensorToDbTask method) (matmethods.vasp.firetasks.parse_outputs.FitEquationOfStateTask method) (matmethods.vasp.firetasks.parse_outputs.GibbsFreeEnergyTask method) (matmethods.vasp.firetasks.parse_outputs.RamanSusceptibilityTensorToDbTask method) (matmethods.vasp.firetasks.parse_outputs.ThermalExpansionCoeffTask method) (matmethods.vasp.firetasks.parse_outputs.VaspToDbTask method) (matmethods.vasp.firetasks.run_calc.RunBoltztrap method) (matmethods.vasp.firetasks.run_calc.RunVaspCustodian method) (matmethods.vasp.firetasks.run_calc.RunVaspCustodianFromObjects method) (matmethods.vasp.firetasks.run_calc.RunVaspDirect method) (matmethods.vasp.firetasks.run_calc.RunVaspFake method) (matmethods.vasp.firetasks.write_inputs.ModifyIncar method) (matmethods.vasp.firetasks.write_inputs.WriteNormalmodeDisplacedPoscar method) (matmethods.vasp.firetasks.write_inputs.WriteTransmutedStructureIOSet method) (matmethods.vasp.firetasks.write_inputs.WriteVaspFromIOSet method) (matmethods.vasp.firetasks.write_inputs.WriteVaspFromPMGObjects method) (matmethods.vasp.firetasks.write_inputs.WriteVaspHSEBSFromPrev method) (matmethods.vasp.firetasks.write_inputs.WriteVaspNSCFFromPrev method) (matmethods.vasp.firetasks.write_inputs.WriteVaspSOCFromPrev method) (matmethods.vasp.firetasks.write_inputs.WriteVaspStaticFromPrev method) RunBoltztrap (class in matmethods.vasp.firetasks.run_calc) RunFeffDirect (class in matmethods.feff.firetasks.run_calc) RunLammpsCustodian (class in matmethods.lammps.firetasks.run_calc) RunLammpsDirect (class in matmethods.lammps.firetasks.run_calc) RunPackmol (class in matmethods.lammps.firetasks.run_calc) RunVaspCustodian (class in matmethods.vasp.firetasks.run_calc) RunVaspCustodianFromObjects (class in matmethods.vasp.firetasks.run_calc) RunVaspDirect (class in matmethods.vasp.firetasks.run_calc) RunVaspFake (class in matmethods.vasp.firetasks.run_calc)

S

schema (matmethods.vasp.drones.VaspDrone attribute) set_analysis() (matmethods.vasp.drones.VaspDrone method) set_input_data() (matmethods.vasp.drones.VaspDrone method) set_output_data() (matmethods.vasp.drones.VaspDrone method) set_state() (matmethods.vasp.drones.VaspDrone method) setUp() (matmethods.common.firetasks.tests.test_glue_tasks.TestPassCalcLocs method) (matmethods.utils.tests.test_loaders.FuncTest method) (matmethods.utils.tests.test_utils.UtilsTests class method) (matmethods.vasp.tests.test_copy.TestCopyVaspOutputs method) (matmethods.vasp.tests.test_setup.TestSetup method) (matmethods.vasp.tests.test_vasp_workflows.TestVaspWorkflows method) (matmethods.vasp.tests.test_write_vasp.TestWriteVasp method)

setUpClass() (matmethods.common.firetasks.tests.test_glue_tasks.TestPassCalcLocs class method) (matmethods.vasp.tests.test_copy.TestCopyVaspOutputs class method) (matmethods.vasp.tests.test_drones.VaspToDbTaskDroneTest class method) (matmethods.vasp.tests.test_setup.TestSetup class method) (matmethods.vasp.tests.test_vasp_powerups.TestVaspPowerups class method) (matmethods.vasp.tests.test_vasp_workflows.TestVaspWorkflows class method) (matmethods.vasp.tests.test_write_vasp.TestWriteVasp class method) SOCFW (class in matmethods.vasp.fireworks.core) SpectrumToDbTask (class in matmethods.feff.firetasks.parse_outputs) StaticFW (class in matmethods.vasp.fireworks.core) SubmissionFilter (class in matmethods.vasp.submission_filter)

T

tag_fws() (in module matmethods.vasp.powerups) TagsBuilder (class in matmethods.vasp.builders.tags_collector) Task1 (class in matmethods.utils.tests.test_utils) Task2 (class in matmethods.utils.tests.test_utils) TasksMaterialsBuilder (class in matmethods.vasp.builders.tasks_materials) tearDown() (matmethods.common.firetasks.tests.test_glue_tasks.TestPassCalcLocs method) (matmethods.vasp.tests.test_copy.TestCopyVaspOutputs method) (matmethods.vasp.tests.test_setup.TestSetup method) (matmethods.vasp.tests.test_vasp_workflows.TestVaspWorkflows method) (matmethods.vasp.tests.test_write_vasp.TestWriteVasp method) test() (matmethods.vasp.submission_filter.SubmissionFilter method) test_add_priority() (matmethods.vasp.tests.test_vasp_powerups.TestVaspPowerups method) test_add_small_gap_multiply() (matmethods.vasp.tests.test_vasp_powerups.TestVaspPowerups method) test_add_tags() (matmethods.vasp.tests.test_vasp_powerups.TestVaspPowerups method) test_add_trackers() (matmethods.vasp.tests.test_vasp_powerups.TestVaspPowerups method) test_append_fw() (matmethods.utils.tests.test_utils.UtilsTests method) test_assimilate() (matmethods.vasp.tests.test_drones.VaspToDbTaskDroneTest method) test_bandgap_check_Vasp() (matmethods.vasp.tests.test_vasp_workflows.TestVaspWorkflows method) test_bandstructure() (matmethods.vasp.tests.test_drones.VaspToDbTaskDroneTest method) test_bandstructure_Vasp() (matmethods.vasp.tests.test_vasp_workflows.TestVaspWorkflows method) test_custodian_powerups() (matmethods.vasp.tests.test_vasp_powerups.TestVaspPowerups method) test_env_chk() (matmethods.utils.tests.test_utils.UtilsTests method) test_get_mongolike() (matmethods.utils.tests.test_utils.UtilsTests method) test_get_wf_from_spec_dict() (matmethods.utils.tests.test_loaders.FuncTest method) test_gzip_copy() (matmethods.vasp.tests.test_copy.TestCopyVaspOutputs method) test_ioset_explicit() (matmethods.vasp.tests.test_write_vasp.TestWriteVasp method) test_ioset_implicit() (matmethods.vasp.tests.test_write_vasp.TestWriteVasp method)

test_ioset_params() (matmethods.vasp.tests.test_write_vasp.TestWriteVasp method) test_modify_incar() (matmethods.vasp.tests.test_vasp_powerups.TestVaspPowerups method) test_modifyincar() (matmethods.vasp.tests.test_write_vasp.TestWriteVasp method) test_multi_parent() (matmethods.utils.tests.test_loaders.FuncTest method) test_passcalclocs() (matmethods.common.firetasks.tests.test_glue_tasks.TestPassCalcLocs method) test_plain_copy() (matmethods.vasp.tests.test_copy.TestCopyVaspOutputs method) test_plain_copy_more() (matmethods.vasp.tests.test_copy.TestCopyVaspOutputs method) test_pmgobjects() (matmethods.vasp.tests.test_write_vasp.TestWriteVasp method) test_relax2_copy() (matmethods.vasp.tests.test_copy.TestCopyVaspOutputs method) test_remove_fw() (matmethods.utils.tests.test_utils.UtilsTests method) test_runs_assimilate() (matmethods.vasp.tests.test_drones.VaspToDbTaskDroneTest method) test_setup() (matmethods.vasp.tests.test_setup.TestSetup method) test_single_Vasp() (matmethods.vasp.tests.test_vasp_workflows.TestVaspWorkflows method) test_single_Vasp_dbinsertion() (matmethods.vasp.tests.test_vasp_workflows.TestVaspWorkflows method) test_trackers() (matmethods.vasp.tests.test_vasp_workflows.TestVaspWorkflows method) test_unittestsetup() (matmethods.vasp.tests.test_copy.TestCopyVaspOutputs method) test_use_scratch_dir() (matmethods.vasp.tests.test_vasp_powerups.TestVaspPowerups method) TestCopyVaspOutputs (class in matmethods.vasp.tests.test_copy) TestPassCalcLocs (class in matmethods.common.firetasks.tests.test_glue_tasks) TestSetup (class in matmethods.vasp.tests.test_setup) TestVaspPowerups (class in matmethods.vasp.tests.test_vasp_powerups) TestVaspWorkflows (class in matmethods.vasp.tests.test_vasp_workflows) TestWriteVasp (class in matmethods.vasp.tests.test_write_vasp) ThermalExpansionCoeffTask (class in matmethods.vasp.firetasks.parse_outputs) tid_int() (matmethods.vasp.builders.tasks_materials.TasksMaterialsBuilder method) tid_str() (matmethods.vasp.builders.tasks_materials.TasksMaterialsBuilder method) ToDbTask (class in matmethods.common.firetasks.parse_outputs) TransmuterFW (class in matmethods.vasp.fireworks.core)

U

update_wf() (in module matmethods.utils.utils) use_custodian() (in module matmethods.vasp.powerups)

use_fake_vasp() (in module matmethods.vasp.powerups) use_scratch_dir() (in module matmethods.vasp.powerups) UtilsTests (class in matmethods.utils.tests.test_utils)

V

VaspDrone (class in matmethods.vasp.drones)

VaspToDbTask (class in matmethods.vasp.firetasks.parse_outputs) VaspToDbTaskDroneTest (class in matmethods.vasp.tests.test_drones)

W

wf_bandstructure() (in module matmethods.vasp.workflows.presets.core) wf_bandstructure_plus_boltztrap() (in module matmethods.vasp.workflows.presets.core) wf_bandstructure_plus_hse() (in module matmethods.vasp.workflows.presets.core) wf_bulk_modulus() (in module matmethods.vasp.workflows.presets.core) wf_dielectric_constant() (in module matmethods.vasp.workflows.presets.core) wf_elastic_constant() (in module matmethods.vasp.workflows.presets.core) wf_from_input_template() (in module matmethods.lammps.workflows.presets) wf_gibbs_free_energy() (in module matmethods.vasp.workflows.presets.core) wf_piezoelectric_constant() (in module matmethods.vasp.workflows.presets.core) wf_raman_spectra() (in module matmethods.vasp.workflows.presets.core) wf_static() (in module matmethods.vasp.workflows.presets.core)

wf_structure_optimization() (in module matmethods.vasp.workflows.presets.core) wf_thermal_expansion() (in module matmethods.vasp.workflows.presets.core) WriteFeffFromIOSet (class in matmethods.feff.firetasks.write_inputs) WritelammpsInputFromDictInput (class in matmethods.lammps.firetasks.write_inputs) WriteNormalmodeDisplacedPoscar (class in matmethods.vasp.firetasks.write_inputs) WriteTransmutedStructureIOSet (class in matmethods.vasp.firetasks.write_inputs) WriteVaspFromIOSet (class in matmethods.vasp.firetasks.write_inputs) WriteVaspFromPMGObjects (class in matmethods.vasp.firetasks.write_inputs) WriteVaspHSEBSFromPrev (class in matmethods.vasp.firetasks.write_inputs) WriteVaspNSCFFromPrev (class in matmethods.vasp.firetasks.write_inputs) WriteVaspSOCFromPrev (class in matmethods.vasp.firetasks.write_inputs) WriteVaspStaticFromPrev (class in matmethods.vasp.firetasks.write_inputs)

X

XASFW (class in matmethods.feff.fireworks.core)