Searched refs:mo_localized (Results 1 – 6 of 6) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | wannier_states.F | 67 SUBROUTINE construct_wannier_states(mo_localized, & argument 70 TYPE(cp_fm_type), INTENT(in), POINTER :: mo_localized local 103 CALL cp_fm_get_info(mo_localized, & 118 para_env=mo_localized%matrix_struct%para_env, & 119 context=mo_localized%matrix_struct%context) 127 para_env=mo_localized%matrix_struct%para_env, & 128 context=mo_localized%matrix_struct%context) 144 CALL cp_fm_to_fm(mo_localized, b, 1, states(i), 1)
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H A D | molecular_states.F | 90 SUBROUTINE construct_molecular_states(molecule_set, mo_localized, & argument 95 TYPE(cp_fm_type), POINTER :: mo_localized, mo_coeff local 188 CALL cp_fm_get_info(mo_localized, & 201 CALL cp_fm_create(storage, mo_localized%matrix_struct, name='storage') 233 para_env=mo_localized%matrix_struct%para_env, & 234 context=mo_localized%matrix_struct%context) 243 para_env=mo_localized%matrix_struct%para_env, & 244 context=mo_localized%matrix_struct%context) 251 CALL cp_fm_to_fm(mo_localized, b, 1, ind(i), i) 295 context=mo_localized%matrix_struct%context) [all …]
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H A D | molecular_moments.F | 103 TYPE(cp_fm_type), POINTER :: mo_localized, momv, mvector, omvector local 171 mo_localized => mo_local(ispin)%matrix 172 CALL cp_fm_get_info(mo_localized, ncol_global=ncol_global, nrow_global=nrow_global) 174 para_env=mo_localized%matrix_struct%para_env, & 175 context=mo_localized%matrix_struct%context) 182 CALL cp_fm_to_fm(mo_localized, mvector, 1, states(i), i)
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | wannier_states.F | 67 SUBROUTINE construct_wannier_states(mo_localized, & argument 70 TYPE(cp_fm_type), INTENT(in), POINTER :: mo_localized local 103 CALL cp_fm_get_info(mo_localized, & 118 para_env=mo_localized%matrix_struct%para_env, & 119 context=mo_localized%matrix_struct%context) 127 para_env=mo_localized%matrix_struct%para_env, & 128 context=mo_localized%matrix_struct%context) 144 CALL cp_fm_to_fm(mo_localized, b, 1, states(i), 1)
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H A D | molecular_states.F | 90 SUBROUTINE construct_molecular_states(molecule_set, mo_localized, & argument 95 TYPE(cp_fm_type), POINTER :: mo_localized, mo_coeff local 188 CALL cp_fm_get_info(mo_localized, & 201 CALL cp_fm_create(storage, mo_localized%matrix_struct, name='storage') 233 para_env=mo_localized%matrix_struct%para_env, & 234 context=mo_localized%matrix_struct%context) 243 para_env=mo_localized%matrix_struct%para_env, & 244 context=mo_localized%matrix_struct%context) 251 CALL cp_fm_to_fm(mo_localized, b, 1, ind(i), i) 295 context=mo_localized%matrix_struct%context) [all …]
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H A D | molecular_moments.F | 103 TYPE(cp_fm_type), POINTER :: mo_localized, momv, mvector, omvector local 171 mo_localized => mo_local(ispin)%matrix 172 CALL cp_fm_get_info(mo_localized, ncol_global=ncol_global, nrow_global=nrow_global) 174 para_env=mo_localized%matrix_struct%para_env, & 175 context=mo_localized%matrix_struct%context) 182 CALL cp_fm_to_fm(mo_localized, mvector, 1, states(i), i)
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