Index

A

assign_colors_to_configs() (in module dfttk.eos_fit)

assign_marker_symbols_to_configs() (in module dfttk.eos_fit)

B

BM4() (in module dfttk.eos_fit) BM4_derivative() (in module dfttk.eos_fit) BM4_derivative2() (in module dfttk.eos_fit) BM4_eos_parameters() (in module dfttk.eos_fit) BM4_equation() (in module dfttk.eos_fit)

BM5() (in module dfttk.eos_fit) BM5_derivative() (in module dfttk.eos_fit) BM5_derivative2() (in module dfttk.eos_fit) BM5_eos_parameters() (in module dfttk.eos_fit) BM5_equation() (in module dfttk.eos_fit)

C

charge_density_difference() (in module dfttk.workflows)

custodian_errors_location() (in module dfttk.workflows)

D

dfttk module dfttk.eos_fit module

dfttk.workflows module

E

elec_dos_parallel() (in module dfttk.workflows)

encut_conv_test() (in module dfttk.workflows) ev_curve_series() (in module dfttk.workflows)

F

fit_to_all_eos() (in module dfttk.eos_fit)

K

kpoints_conv_test() (in module dfttk.workflows)

L

LOG4() (in module dfttk.eos_fit) LOG4_derivative() (in module dfttk.eos_fit) LOG4_derivative2() (in module dfttk.eos_fit) LOG4_eos_parameters() (in module dfttk.eos_fit) LOG4_equation() (in module dfttk.eos_fit)

LOG5() (in module dfttk.eos_fit) LOG5_derivative() (in module dfttk.eos_fit) LOG5_derivative2() (in module dfttk.eos_fit) LOG5_eos_parameters() (in module dfttk.eos_fit) LOG5_equation() (in module dfttk.eos_fit)

M

mBM4() (in module dfttk.eos_fit) mBM4_derivative() (in module dfttk.eos_fit) mBM4_derivative2() (in module dfttk.eos_fit) mBM4_eos_parameters() (in module dfttk.eos_fit) mBM4_equation() (in module dfttk.eos_fit) mBM5() (in module dfttk.eos_fit) mBM5_derivative() (in module dfttk.eos_fit) mBM5_derivative2() (in module dfttk.eos_fit) mBM5_eos_parameters() (in module dfttk.eos_fit) mBM5_equation() (in module dfttk.eos_fit) merge_custodian_json_files() (in module dfttk.workflows)

module dfttk dfttk.eos_fit dfttk.workflows morse() (in module dfttk.eos_fit) morse_derivative() (in module dfttk.eos_fit) morse_equation() (in module dfttk.eos_fit) move_folders() (in module dfttk.workflows) murnaghan() (in module dfttk.eos_fit) murnaghan_derivative() (in module dfttk.eos_fit) murnaghan_equation() (in module dfttk.eos_fit)

N

NELM_reached() (in module dfttk.workflows)

P

phonons_parallel() (in module dfttk.workflows) plot_config_energy() (in module dfttk.eos_fit) plot_energy_difference() (in module dfttk.eos_fit) plot_energy_histogram() (in module dfttk.eos_fit)

plot_ev() (in module dfttk.eos_fit) plot_mv() (in module dfttk.eos_fit) process_error_folders() (in module dfttk.workflows) process_phonon_dos_YPHON() (in module dfttk.workflows)

R

rename_error_folders() (in module dfttk.workflows)

run_elec_dos() (in module dfttk.workflows) run_phonons() (in module dfttk.workflows)

T

three_step_relaxation() (in module dfttk.workflows)

V

vinet() (in module dfttk.eos_fit)

vinet_derivative() (in module dfttk.eos_fit) vinet_equation() (in module dfttk.eos_fit)