calypso.plugins.landscape_spn_deploy_v1.h2l module

calypso.plugins.landscape_spn_deploy_v1.h2l.Rm_SIM_Struc(filepath, filetype, k=None, max_dis=None, r_cut_off=None, extend_r=None, ccf_step=None, apw=None, ftype=None)

calypso.plugins.landscape_spn_deploy_v1.h2l.SV_HiSD(stru, V_index, k, dl, dx0, dv0, eps_s0, eps_f0, interval, maxstep, save, dl_min, max_m, soft, lat, cmd, maxcore, core, m_step_dx, m_step_dv, atoms, speed, dis_x, q_eps)

calypso.plugins.landscape_spn_deploy_v1.h2l.cal_ccf_d(ccf1, ccf2)

calypso.plugins.landscape_spn_deploy_v1.h2l.cal_inter_atomic_d(struc, r_cut_off)

calypso.plugins.landscape_spn_deploy_v1.h2l.cell_range(cell, pbc, rcut)

calypso.plugins.landscape_spn_deploy_v1.h2l.count_atoms_dict(numbers)

calypso.plugins.landscape_spn_deploy_v1.h2l.d2ccf(distances, r_cut_off, r_vector, a=60.0, ftype='CCF', rho=1.0)

calypso.plugins.landscape_spn_deploy_v1.h2l.element_tag(numbers, irt=1)

calypso.plugins.landscape_spn_deploy_v1.h2l.gaussian_f(weight_f, b, x, a=60.0)

calypso.plugins.landscape_spn_deploy_v1.h2l.get_V_Direc(mode, struc_list, k)

calypso.plugins.landscape_spn_deploy_v1.h2l.get_nspec(struc)

calypso.plugins.landscape_spn_deploy_v1.h2l.get_parallel(maxcore, core, k, DN, SN)

calypso.plugins.landscape_spn_deploy_v1.h2l.main(parsed_args)

calypso.plugins.landscape_spn_deploy_v1.h2l.pearson_cc(x, y)

calypso.plugins.landscape_spn_deploy_v1.h2l.struc2ccf(struc, r_cut_off, r_vector, apw=60.0, ftype='CCF')

calypso.plugins.landscape_spn_deploy_v1.h2l.weight_f(r, r_cut_off)