:py:mod:`ccs_fit.scripts.ccs_prune` =================================== .. py:module:: ccs_fit.scripts.ccs_prune Module Contents --------------- Functions ~~~~~~~~~ .. autoapisummary:: ccs_fit.scripts.ccs_prune.ccs_prune ccs_fit.scripts.ccs_prune.main .. py:function:: ccs_prune(mode=None, CCS_params=None, Ns='all', DFT_DB='DFT.db', CCS_DB='CCS_pruned.db', DFTB_DB=None, charge_dict=None, charge_scaling=False, include_forces=False, verbose=False) Function to verify database generation. --------------------------------------- Input ----- mode : str String describing which mode is used, supported modes are: CCS: CCS_params_file(string) NumberOfSamples(int) DFT.db(string)") CCS+Q: CCS_params_file(string) NumberOfSamples(int) DFT.db(string) charge_dict(string) charge_scaling(bool)") DFTB: CCS_params_file(string) NumberOfSamples(int) DFT.db(string) DFTB.db(string)") :rtype: What does it return Jolla? Example usage ------------- ccs_validate MODE [...] .. py:function:: main()