minushalf
stable
Contents:
Introduction
Installation
Commands
API Documentation
Support and financing
minushalf
Index
Edit on GitHub
Index
A
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B
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C
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D
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E
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F
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G
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H
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I
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K
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L
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M
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N
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O
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P
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R
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S
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T
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U
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V
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W
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X
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Y
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Z
A
Ac (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
ae (minushalf.data.calculation_code.CalculationCode attribute)
Ag (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
Al (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
Am (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
amplitude (minushalf.data.minushalf_yaml_default_configuration.CorrectionDefaultParams attribute)
Ar (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
As (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
At (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
atomic_program (minushalf.data.minushalf_yaml_default_configuration.MinushalfParams attribute)
AtomicPotential (class in minushalf.utils.atomic_potential)
AtomicProgram (class in minushalf.io.atomic_program)
AtomicProgramDefaultParams (class in minushalf.data.minushalf_yaml_default_configuration)
Au (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
B
B (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
Ba (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
band_gap() (minushalf.utils.band_structure.BandStructure method)
band_projection() (minushalf.utils.band_structure.BandStructure method)
BandProjectionFile (class in minushalf.interfaces.band_projection_file)
BandStructure (class in minushalf.utils.band_structure)
Be (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
bh (minushalf.data.exchange_correlation.ExchangeCorrelation attribute)
Bh (minushalf.data.periodic_table.PeriodicTable attribute)
Bi (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
Bk (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
bl (minushalf.data.exchange_correlation.ExchangeCorrelation attribute)
bohr_radius (minushalf.data.constants.Constants property)
Br (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
C
c (minushalf.data.correction_code.CorrectionCode attribute)
C (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
Ca (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
ca (minushalf.data.exchange_correlation.ExchangeCorrelation attribute)
Ca (minushalf.data.periodic_table.PeriodicTable attribute)
calculation_code (minushalf.data.minushalf_yaml_default_configuration.AtomicProgramDefaultParams attribute)
(minushalf.io.input_file.InputFile property)
CalculationCode (class in minushalf.data.calculation_code)
cbm_characters (minushalf.io.correction.Correction property)
cbm_index() (minushalf.utils.band_structure.BandStructure method)
cbm_projection() (minushalf.utils.band_structure.BandStructure method)
Cd (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
Ce (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
cf (minushalf.data.correction_code.CorrectionCode attribute)
Cf (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
check_eigenval_exists() (in module minushalf.utils.check_file_exists)
check_outcar_exists() (in module minushalf.utils.check_file_exists)
check_potcar_exists() (in module minushalf.utils.check_file_exists)
check_procar_exists() (in module minushalf.utils.check_file_exists)
check_vasprun_exists() (in module minushalf.utils.check_file_exists)
chemical_symbol (minushalf.io.input_file.InputFile property)
Cl (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
Cm (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
Cn (minushalf.data.periodic_table.PeriodicTable attribute)
Co (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
command (minushalf.data.minushalf_yaml_default_configuration.VaspDefaultParams attribute)
(minushalf.io.software_configurations.SoftwareConfigurations property)
conduction_cut_guess (minushalf.data.minushalf_yaml_default_configuration.CorrectionDefaultParams attribute)
(minushalf.io.correction.Correction property)
Constants (class in minushalf.data.constants)
correct_file() (minushalf.utils.atomic_potential.AtomicPotential method)
correct_potential() (minushalf.utils.atomic_potential.AtomicPotential method)
correct_potential_fourier_transform() (in module minushalf.utils.correct_potential_fourier_transform)
Correction (class in minushalf.interfaces.correction)
(class in minushalf.io.correction)
correction (minushalf.data.minushalf_yaml_default_configuration.MinushalfParams attribute)
correction_code (minushalf.data.minushalf_yaml_default_configuration.CorrectionDefaultParams attribute)
(minushalf.io.correction.Correction property)
CorrectionCode (class in minushalf.data.correction_code)
CorrectionDefaultParams (class in minushalf.data.minushalf_yaml_default_configuration)
Cr (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
create() (minushalf.utils.band_structure.BandStructure static method)
Cs (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
Cu (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
CutInitialGuess (class in minushalf.utils.cut_initial_guess)
D
d (minushalf.data.orbital.OrbitalType attribute)
Db (minushalf.data.periodic_table.PeriodicTable attribute)
DFTCorrection (class in minushalf.corrections.correction)
divide_character (minushalf.io.correction.Correction property)
drop_comments() (in module minushalf.utils.drop_comments)
Ds (minushalf.data.periodic_table.PeriodicTable attribute)
dx2 (minushalf.data.orbital.Orbital attribute)
dxy (minushalf.data.orbital.Orbital attribute)
dxz (minushalf.data.orbital.Orbital attribute)
Dy (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
dyz (minushalf.data.orbital.Orbital attribute)
dz2 (minushalf.data.orbital.Orbital attribute)
E
Eigenvalues (class in minushalf.softwares.vasp.eigenval)
electron_occupation() (minushalf.io.input_file.InputFile method)
ElectronicDistribution (class in minushalf.data.electronic_distribution)
end_message() (in module minushalf.utils.cli_messages)
Er (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
Es (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
Eu (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
exchange_correlation_code (minushalf.data.minushalf_yaml_default_configuration.AtomicProgramDefaultParams attribute)
(minushalf.io.input_file.InputFile property)
ExchangeCorrelation (class in minushalf.data.exchange_correlation)
execute() (minushalf.corrections.correction.DFTCorrection method)
(minushalf.interfaces.correction.Correction method)
F
F (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
f (minushalf.data.orbital.OrbitalType attribute)
F (minushalf.data.periodic_table.PeriodicTable attribute)
f0 (minushalf.data.orbital.Orbital attribute)
f1 (minushalf.data.orbital.Orbital attribute)
f2 (minushalf.data.orbital.Orbital attribute)
f3 (minushalf.data.orbital.Orbital attribute)
f_1 (minushalf.data.orbital.Orbital attribute)
f_2 (minushalf.data.orbital.Orbital attribute)
f_3 (minushalf.data.orbital.Orbital attribute)
Fe (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
find_negative_band_gap() (in module minushalf.utils.negative_band_gap)
Fl (minushalf.data.periodic_table.PeriodicTable attribute)
Fm (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
Fr (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
fractional_conduction_treshold (minushalf.data.minushalf_yaml_default_configuration.CorrectionDefaultParams attribute)
fractional_valence_treshold (minushalf.data.minushalf_yaml_default_configuration.CorrectionDefaultParams attribute)
from_file() (minushalf.io.input_file.InputFile static method)
(minushalf.io.minushalf_yaml.MinushalfYaml static method)
(minushalf.io.vtotal.Vtotal static method)
G
Ga (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
Gd (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
Ge (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
get_amplitude() (minushalf.io.minushalf_yaml.MinushalfYaml method)
get_atomic_program_params() (minushalf.io.minushalf_yaml.MinushalfYaml method)
get_atoms_list() (in module minushalf.commands.execute)
get_atoms_map() (minushalf.interfaces.software_abstract_factory.SoftwaresAbstractFactory method)
(minushalf.softwares.vasp_factory.Vasp method)
get_band_projection() (minushalf.interfaces.band_projection_file.BandProjectionFile method)
(minushalf.softwares.vasp.procar.Procar method)
get_band_projection_class() (minushalf.interfaces.software_abstract_factory.SoftwaresAbstractFactory method)
(minushalf.softwares.vasp_factory.Vasp method)
get_calculation_code() (minushalf.io.minushalf_yaml.MinushalfYaml method)
get_cbm_characters() (minushalf.io.minushalf_yaml.MinushalfYaml method)
get_command() (minushalf.io.minushalf_yaml.MinushalfYaml method)
get_conduction_correction_params() (in module minushalf.utils.get_correction_params)
get_conduction_cut_initial_guess() (minushalf.io.minushalf_yaml.MinushalfYaml method)
get_corrected_file_lines() (minushalf.utils.atomic_potential.AtomicPotential method)
get_correction_code() (minushalf.io.minushalf_yaml.MinushalfYaml method)
get_correction_params() (minushalf.io.minushalf_yaml.MinushalfYaml method)
get_default() (minushalf.data.calculation_code.CalculationCode static method)
(minushalf.data.correction_code.CorrectionCode static method)
(minushalf.data.exchange_correlation.ExchangeCorrelation static method)
(minushalf.data.softwares.Softwares static method)
get_divide_character() (minushalf.io.minushalf_yaml.MinushalfYaml method)
get_eigenvalues() (minushalf.interfaces.software_abstract_factory.SoftwaresAbstractFactory method)
(minushalf.softwares.vasp_factory.Vasp method)
get_exchange_corr_code() (minushalf.io.minushalf_yaml.MinushalfYaml method)
get_fermi_energy() (minushalf.interfaces.software_abstract_factory.SoftwaresAbstractFactory method)
(minushalf.softwares.vasp_factory.Vasp method)
get_fractionary_correction_indexes() (in module minushalf.utils.fractionary_correction_indexes)
get_inplace() (minushalf.io.minushalf_yaml.MinushalfYaml method)
get_max_iterations() (minushalf.io.minushalf_yaml.MinushalfYaml method)
get_maximum_module_wave_vector() (minushalf.interfaces.potential_file.PotentialFile method)
(minushalf.softwares.vasp.potcar.Potcar method)
get_name() (minushalf.interfaces.potential_file.PotentialFile method)
(minushalf.softwares.vasp.potcar.Potcar method)
get_nearest_neighbor_distance() (minushalf.interfaces.software_abstract_factory.SoftwaresAbstractFactory method)
(minushalf.softwares.vasp_factory.Vasp method)
get_number_of_bands() (minushalf.interfaces.software_abstract_factory.SoftwaresAbstractFactory method)
(minushalf.softwares.vasp_factory.Vasp method)
get_number_of_equal_neighbors() (minushalf.interfaces.software_abstract_factory.SoftwaresAbstractFactory method)
(minushalf.softwares.vasp_factory.Vasp method)
get_number_of_kpoints() (minushalf.interfaces.software_abstract_factory.SoftwaresAbstractFactory method)
(minushalf.softwares.vasp_factory.Vasp method)
get_overwrite_cbm() (minushalf.io.minushalf_yaml.MinushalfYaml method)
get_overwrite_vbm() (minushalf.io.minushalf_yaml.MinushalfYaml method)
get_potential_class() (minushalf.interfaces.software_abstract_factory.SoftwaresAbstractFactory method)
(minushalf.softwares.vasp_factory.Vasp method)
get_potential_folder() (minushalf.io.minushalf_yaml.MinushalfYaml method)
get_potential_fourier_transform() (minushalf.interfaces.potential_file.PotentialFile method)
(minushalf.softwares.vasp.potcar.Potcar method)
get_runner() (minushalf.interfaces.software_abstract_factory.SoftwaresAbstractFactory method)
(minushalf.softwares.vasp_factory.Vasp method)
get_simple_correction_indexes() (in module minushalf.utils.simple_correction_indexes)
get_software_configurations_params() (minushalf.io.minushalf_yaml.MinushalfYaml method)
get_software_name() (minushalf.io.minushalf_yaml.MinushalfYaml method)
get_tolerance() (minushalf.io.minushalf_yaml.MinushalfYaml method)
get_valence_correction_params() (in module minushalf.utils.get_correction_params)
get_valence_cut_initial_guess() (minushalf.io.minushalf_yaml.MinushalfYaml method)
get_vbm_characters() (minushalf.io.minushalf_yaml.MinushalfYaml method)
gl (minushalf.data.exchange_correlation.ExchangeCorrelation attribute)
guess() (minushalf.utils.cut_initial_guess.CutInitialGuess method)
H
H (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
He (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
Hf (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
Hg (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
hl (minushalf.data.exchange_correlation.ExchangeCorrelation attribute)
Ho (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
Hs (minushalf.data.periodic_table.PeriodicTable attribute)
I
I (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
In (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
inplace (minushalf.data.minushalf_yaml_default_configuration.CorrectionDefaultParams attribute)
InputFile (class in minushalf.io.input_file)
Ir (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
is_metal() (minushalf.utils.band_structure.BandStructure method)
K
K (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
Kr (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
L
La (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
Li (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
Lr (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
Lu (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
Lv (minushalf.data.periodic_table.PeriodicTable attribute)
M
make_minushalf_results() (in module minushalf.io.make_minushalf_results)
max_iterations (minushalf.data.minushalf_yaml_default_configuration.AtomicProgramDefaultParams attribute)
Mc (minushalf.data.periodic_table.PeriodicTable attribute)
Md (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
Mg (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
minimum_setup() (minushalf.io.input_file.InputFile static method)
minushalf
module
minushalf.commands
module
minushalf.commands.band_character
module
minushalf.commands.band_gap
module
minushalf.commands.cbm_character
module
minushalf.commands.correct_potfile
module
minushalf.commands.create_input
module
minushalf.commands.execute
module
minushalf.commands.fractional_occupation
module
minushalf.commands.run_atomic_program
module
minushalf.commands.vbm_character
module
minushalf.corrections
module
minushalf.corrections.correction
module
minushalf.data
module
minushalf.data.calculation_code
module
minushalf.data.constants
module
minushalf.data.correction_code
module
minushalf.data.electronic_distribution
module
minushalf.data.exchange_correlation
module
minushalf.data.minushalf_yaml_default_configuration
module
minushalf.data.orbital
module
minushalf.data.periodic_table
module
minushalf.data.softwares
module
minushalf.interfaces
module
minushalf.interfaces.band_projection_file
module
minushalf.interfaces.correction
module
minushalf.interfaces.potential_file
module
minushalf.interfaces.runner
module
minushalf.interfaces.software_abstract_factory
module
minushalf.io
module
minushalf.io.atomic_program
module
minushalf.io.correction
module
minushalf.io.input_file
module
minushalf.io.make_minushalf_results
module
minushalf.io.minushalf_yaml
module
minushalf.io.software_configurations
module
minushalf.io.vtotal
module
minushalf.minushalf
module
minushalf.softwares
module
minushalf.softwares.vasp
module
minushalf.softwares.vasp.eigenval
module
minushalf.softwares.vasp.potcar
module
minushalf.softwares.vasp.procar
module
minushalf.softwares.vasp.runner
module
minushalf.softwares.vasp.vasprun
module
minushalf.softwares.vasp_factory
module
minushalf.utils
module
minushalf.utils.atomic_potential
module
minushalf.utils.band_structure
module
minushalf.utils.check_file_exists
module
minushalf.utils.cli_messages
module
minushalf.utils.correct_potential_fourier_transform
module
minushalf.utils.cut_initial_guess
module
minushalf.utils.drop_comments
module
minushalf.utils.fractionary_correction_indexes
module
minushalf.utils.get_correction_params
module
minushalf.utils.negative_band_gap
module
minushalf.utils.parse_cut
module
minushalf.utils.parse_valence_orbital_line
module
minushalf.utils.projection_to_df
module
minushalf.utils.simple_correction_indexes
module
minushalf.utils.trimming_function
module
MinushalfParams (class in minushalf.data.minushalf_yaml_default_configuration)
MinushalfYaml (class in minushalf.io.minushalf_yaml)
Mn (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
Mo (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
module
minushalf
minushalf.commands
minushalf.commands.band_character
minushalf.commands.band_gap
minushalf.commands.cbm_character
minushalf.commands.correct_potfile
minushalf.commands.create_input
minushalf.commands.execute
minushalf.commands.fractional_occupation
minushalf.commands.run_atomic_program
minushalf.commands.vbm_character
minushalf.corrections
minushalf.corrections.correction
minushalf.data
minushalf.data.calculation_code
minushalf.data.constants
minushalf.data.correction_code
minushalf.data.electronic_distribution
minushalf.data.exchange_correlation
minushalf.data.minushalf_yaml_default_configuration
minushalf.data.orbital
minushalf.data.periodic_table
minushalf.data.softwares
minushalf.interfaces
minushalf.interfaces.band_projection_file
minushalf.interfaces.correction
minushalf.interfaces.potential_file
minushalf.interfaces.runner
minushalf.interfaces.software_abstract_factory
minushalf.io
minushalf.io.atomic_program
minushalf.io.correction
minushalf.io.input_file
minushalf.io.make_minushalf_results
minushalf.io.minushalf_yaml
minushalf.io.software_configurations
minushalf.io.vtotal
minushalf.minushalf
minushalf.softwares
minushalf.softwares.vasp
minushalf.softwares.vasp.eigenval
minushalf.softwares.vasp.potcar
minushalf.softwares.vasp.procar
minushalf.softwares.vasp.runner
minushalf.softwares.vasp.vasprun
minushalf.softwares.vasp_factory
minushalf.utils
minushalf.utils.atomic_potential
minushalf.utils.band_structure
minushalf.utils.check_file_exists
minushalf.utils.cli_messages
minushalf.utils.correct_potential_fourier_transform
minushalf.utils.cut_initial_guess
minushalf.utils.drop_comments
minushalf.utils.fractionary_correction_indexes
minushalf.utils.get_correction_params
minushalf.utils.negative_band_gap
minushalf.utils.parse_cut
minushalf.utils.parse_valence_orbital_line
minushalf.utils.projection_to_df
minushalf.utils.simple_correction_indexes
minushalf.utils.trimming_function
Mt (minushalf.data.periodic_table.PeriodicTable attribute)
N
N (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
Na (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
Nb (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
Nd (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
Ne (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
Nh (minushalf.data.periodic_table.PeriodicTable attribute)
Ni (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
No (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
Np (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
O
O (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
occupy_potential() (minushalf.utils.atomic_potential.AtomicPotential method)
Og (minushalf.data.periodic_table.PeriodicTable attribute)
Orbital (class in minushalf.data.orbital)
OrbitalType (class in minushalf.data.orbital)
Os (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
overwrite_cbm (minushalf.data.minushalf_yaml_default_configuration.CorrectionDefaultParams attribute)
(minushalf.io.correction.Correction property)
overwrite_vbm (minushalf.data.minushalf_yaml_default_configuration.CorrectionDefaultParams attribute)
(minushalf.io.correction.Correction property)
P
P (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
p (minushalf.data.orbital.OrbitalType attribute)
P (minushalf.data.periodic_table.PeriodicTable attribute)
Pa (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
parse_cut() (in module minushalf.utils.parse_cut)
parse_valence_orbitals() (in module minushalf.utils.parse_valence_orbital_line)
Pb (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
pb (minushalf.data.exchange_correlation.ExchangeCorrelation attribute)
Pb (minushalf.data.periodic_table.PeriodicTable attribute)
Pd (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
PeriodicTable (class in minushalf.data.periodic_table)
pi_constant (minushalf.data.constants.Constants property)
Pm (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
Po (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
Potcar (class in minushalf.softwares.vasp.potcar)
potential_folder (minushalf.corrections.correction.DFTCorrection property)
PotentialFile (class in minushalf.interfaces.potential_file)
potfiles_folder (minushalf.data.minushalf_yaml_default_configuration.CorrectionDefaultParams attribute)
Pr (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
Procar (class in minushalf.softwares.vasp.procar)
projection_to_df() (in module minushalf.utils.projection_to_df)
Pt (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
Pu (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
px (minushalf.data.orbital.Orbital attribute)
py (minushalf.data.orbital.Orbital attribute)
pz (minushalf.data.orbital.Orbital attribute)
R
Ra (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
Rb (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
Re (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
read_down_potential() (minushalf.io.vtotal.Vtotal static method)
read_radius() (minushalf.io.vtotal.Vtotal static method)
Rf (minushalf.data.periodic_table.PeriodicTable attribute)
Rg (minushalf.data.periodic_table.PeriodicTable attribute)
Rh (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
Rn (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
rp (minushalf.data.exchange_correlation.ExchangeCorrelation attribute)
Ru (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
run() (minushalf.interfaces.runner.Runner method)
(minushalf.softwares.vasp.runner.VaspRunner method)
Runner (class in minushalf.interfaces.runner)
rv (minushalf.data.exchange_correlation.ExchangeCorrelation attribute)
rydberg (minushalf.data.constants.Constants property)
S
S (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
s (minushalf.data.orbital.Orbital attribute)
(minushalf.data.orbital.OrbitalType attribute)
S (minushalf.data.periodic_table.PeriodicTable attribute)
Sb (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
Sc (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
Se (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
Sg (minushalf.data.periodic_table.PeriodicTable attribute)
Si (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
Sm (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
Sn (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
software (minushalf.data.minushalf_yaml_default_configuration.MinushalfParams attribute)
software_name (minushalf.io.software_configurations.SoftwareConfigurations property)
SoftwareConfigurations (class in minushalf.io.software_configurations)
Softwares (class in minushalf.data.softwares)
SoftwaresAbstractFactory (class in minushalf.interfaces.software_abstract_factory)
Sr (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
T
Ta (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
Tb (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
Tc (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
Te (minushalf.data.periodic_table.PeriodicTable attribute)
Th (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
Ti (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
Tl (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
Tm (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
to_dict() (minushalf.data.minushalf_yaml_default_configuration.AtomicProgramDefaultParams static method)
(minushalf.data.minushalf_yaml_default_configuration.CorrectionDefaultParams static method)
(minushalf.data.minushalf_yaml_default_configuration.MinushalfParams static method)
(minushalf.data.minushalf_yaml_default_configuration.VaspDefaultParams static method)
(minushalf.io.atomic_program.AtomicProgram method)
(minushalf.io.correction.Correction method)
(minushalf.io.software_configurations.SoftwareConfigurations method)
to_file() (minushalf.interfaces.potential_file.PotentialFile method)
(minushalf.io.input_file.InputFile method)
(minushalf.softwares.vasp.potcar.Potcar method)
to_list() (minushalf.data.calculation_code.CalculationCode static method)
(minushalf.data.correction_code.CorrectionCode static method)
(minushalf.data.exchange_correlation.ExchangeCorrelation static method)
(minushalf.data.minushalf_yaml_default_configuration.AtomicProgramDefaultParams static method)
(minushalf.data.minushalf_yaml_default_configuration.CorrectionDefaultParams static method)
(minushalf.data.minushalf_yaml_default_configuration.MinushalfParams static method)
(minushalf.data.minushalf_yaml_default_configuration.VaspDefaultParams static method)
(minushalf.data.softwares.Softwares static method)
(minushalf.io.atomic_program.AtomicProgram method)
(minushalf.io.correction.Correction method)
(minushalf.io.software_configurations.SoftwareConfigurations method)
to_stringlist() (minushalf.interfaces.potential_file.PotentialFile method)
(minushalf.io.input_file.InputFile method)
(minushalf.softwares.vasp.potcar.Potcar method)
tolerance (minushalf.data.minushalf_yaml_default_configuration.CorrectionDefaultParams attribute)
trimming_exponent (minushalf.data.constants.Constants property)
trimming_function() (in module minushalf.utils.trimming_function)
Ts (minushalf.data.periodic_table.PeriodicTable attribute)
U
U (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
V
v (minushalf.data.correction_code.CorrectionCode attribute)
V (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
valence_cut_guess (minushalf.data.minushalf_yaml_default_configuration.CorrectionDefaultParams attribute)
(minushalf.io.correction.Correction property)
Vasp (class in minushalf.softwares.vasp_factory)
vasp (minushalf.data.softwares.Softwares attribute)
VaspDefaultParams (class in minushalf.data.minushalf_yaml_default_configuration)
Vasprun (class in minushalf.softwares.vasp.vasprun)
VaspRunner (class in minushalf.softwares.vasp.runner)
vbm_characters (minushalf.io.correction.Correction property)
vbm_index() (minushalf.utils.band_structure.BandStructure method)
vbm_projection() (minushalf.utils.band_structure.BandStructure method)
vc (minushalf.data.correction_code.CorrectionCode attribute)
vcf (minushalf.data.correction_code.CorrectionCode attribute)
vf (minushalf.data.correction_code.CorrectionCode attribute)
vfc (minushalf.data.correction_code.CorrectionCode attribute)
vfcf (minushalf.data.correction_code.CorrectionCode attribute)
Vtotal (class in minushalf.io.vtotal)
W
W (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
welcome_message() (in module minushalf.utils.cli_messages)
wi (minushalf.data.exchange_correlation.ExchangeCorrelation attribute)
X
Xe (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
Y
Y (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
Yb (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
Z
Zn (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
Zr (minushalf.data.electronic_distribution.ElectronicDistribution attribute)
(minushalf.data.periodic_table.PeriodicTable attribute)
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