calypso.plugins.landscape_spn_deploy_v1.cal_ccf module

calypso.plugins.landscape_spn_deploy_v1.cal_ccf.Rm_SIM_Struc(filepath, filetype, k=None, max_dis=None, r_cut_off=None, extend_r=None, ccf_step=None, apw=None, ftype=None, core=None)

calypso.plugins.landscape_spn_deploy_v1.cal_ccf.cal_ccf_d(ccf1, ccf2)

calypso.plugins.landscape_spn_deploy_v1.cal_ccf.cal_inter_atomic_d(struc, r_cut_off)

calypso.plugins.landscape_spn_deploy_v1.cal_ccf.cell_range(cell, pbc, rcut)

calypso.plugins.landscape_spn_deploy_v1.cal_ccf.count_atoms_dict(numbers)

calypso.plugins.landscape_spn_deploy_v1.cal_ccf.d2ccf(distances, r_cut_off, r_vector, a=60.0, ftype='CCF', rho=1.0)

calypso.plugins.landscape_spn_deploy_v1.cal_ccf.element_tag(numbers, irt=1)

calypso.plugins.landscape_spn_deploy_v1.cal_ccf.gaussian_f(weight_f, b, x, a=60.0)

calypso.plugins.landscape_spn_deploy_v1.cal_ccf.get_nspec(struc)

calypso.plugins.landscape_spn_deploy_v1.cal_ccf.main(args)

calypso.plugins.landscape_spn_deploy_v1.cal_ccf.pearson_cc(x, y)

calypso.plugins.landscape_spn_deploy_v1.cal_ccf.struc2ccf(struc, r_cut_off, r_vector, apw=60.0, ftype='CCF')

calypso.plugins.landscape_spn_deploy_v1.cal_ccf.weight_f(r, r_cut_off)