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Searched refs:mo_localized (Results 1 – 6 of 6) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dwannier_states.F67 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)
H A Dmolecular_states.F90 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 …]
H A Dmolecular_moments.F103 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)
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dwannier_states.F67 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)
H A Dmolecular_states.F90 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 …]
H A Dmolecular_moments.F103 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)