ccs_fit.fitting.main

Parses the inputs used by the ccs fitting script.

Module Contents

Functions

prepare_input(filename)
parse(data, struct_data, struct_data_forces)
twp_fit(filename)	Parses the input files and fits the reference data.

Attributes

logger

ccs_fit.fitting.main.logger

ccs_fit.fitting.main.prepare_input(filename)

ccs_fit.fitting.main.parse(data, struct_data, struct_data_forces)

ccs_fit.fitting.main.twp_fit(filename)

Parses the input files and fits the reference data.

Parameters:

filename (str) – The input file (input.json).