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

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Det_coupling.F78 TYPE(cp_fm_struct_type), POINTER :: mo_mo_fmstruct local
87 NULLIFY (tmp2, SMO, rest_MO, mo_mo_fmstruct, rest_MO, energy, matrix_s, dft_control, para_env)
107 mo_mo_fmstruct => fm_pool_get_el_struct(mo_mo_fm_pools(1)%pool)
109 mo_mo_fmstruct => fm_pool_get_el_struct(mo_mo_fm_pools(i)%pool)
119 matrix_struct=mo_mo_fmstruct, &
122 matrix_struct=mo_mo_fmstruct, &
125 matrix_struct=mo_mo_fmstruct, &
130 matrix_struct=mo_mo_fmstruct, &
H A Dqs_mom_methods.F391 TYPE(cp_fm_struct_type), POINTER :: ao_mo_fmstruct, mo_mo_fmstruct local
425 NULLIFY (blacs_env, mo_mo_fmstruct, scf_env%mom_overlap(ispin)%matrix)
428 … CALL cp_fm_struct_create(mo_mo_fmstruct, nrow_global=nmo, ncol_global=nmo, context=blacs_env)
429 CALL cp_fm_create(scf_env%mom_overlap(ispin)%matrix, mo_mo_fmstruct)
430 CALL cp_fm_struct_release(mo_mo_fmstruct)
H A Dmixed_cdft_methods.F1209 density_matrix_diff, mo_mo_fmstruct, inverse_mat, mo_overlap, &
1304 NULLIFY (fm_struct_mo, mo_mo_fmstruct)
1356 CALL cp_fm_struct_create(mo_mo_fmstruct, nrow_global=nmo, ncol_global=nmo, &
1362 CALL cp_fm_create(matrix=inverse_mat, matrix_struct=mo_mo_fmstruct, &
1364 CALL cp_fm_create(matrix=Tinverse, matrix_struct=mo_mo_fmstruct, &
1383 CALL cp_fm_struct_release(mo_mo_fmstruct)
2080 TYPE(cp_fm_struct_type), POINTER :: mo_mo_fmstruct local
2167 CALL cp_fm_struct_create(mo_mo_fmstruct, nrow_global=nmo, ncol_global=nmo, &
2169 CALL cp_fm_create(matrix=mo_overlap_wfn, matrix_struct=mo_mo_fmstruct, &
2171 CALL cp_fm_create(matrix=inverse_mat, matrix_struct=mo_mo_fmstruct, &
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/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Det_coupling.F78 TYPE(cp_fm_struct_type), POINTER :: mo_mo_fmstruct local
87 NULLIFY (tmp2, SMO, rest_MO, mo_mo_fmstruct, rest_MO, energy, matrix_s, dft_control, para_env)
107 mo_mo_fmstruct => fm_pool_get_el_struct(mo_mo_fm_pools(1)%pool)
109 mo_mo_fmstruct => fm_pool_get_el_struct(mo_mo_fm_pools(i)%pool)
119 matrix_struct=mo_mo_fmstruct, &
122 matrix_struct=mo_mo_fmstruct, &
125 matrix_struct=mo_mo_fmstruct, &
130 matrix_struct=mo_mo_fmstruct, &
H A Dqs_mom_methods.F391 TYPE(cp_fm_struct_type), POINTER :: ao_mo_fmstruct, mo_mo_fmstruct local
425 NULLIFY (blacs_env, mo_mo_fmstruct, scf_env%mom_overlap(ispin)%matrix)
428 … CALL cp_fm_struct_create(mo_mo_fmstruct, nrow_global=nmo, ncol_global=nmo, context=blacs_env)
429 CALL cp_fm_create(scf_env%mom_overlap(ispin)%matrix, mo_mo_fmstruct)
430 CALL cp_fm_struct_release(mo_mo_fmstruct)
H A Dmixed_cdft_methods.F1208 density_matrix_diff, mo_mo_fmstruct, inverse_mat, mo_overlap, &
1303 NULLIFY (fm_struct_mo, mo_mo_fmstruct)
1355 CALL cp_fm_struct_create(mo_mo_fmstruct, nrow_global=nmo, ncol_global=nmo, &
1361 CALL cp_fm_create(matrix=inverse_mat, matrix_struct=mo_mo_fmstruct, &
1363 CALL cp_fm_create(matrix=Tinverse, matrix_struct=mo_mo_fmstruct, &
1382 CALL cp_fm_struct_release(mo_mo_fmstruct)
2079 TYPE(cp_fm_struct_type), POINTER :: mo_mo_fmstruct local
2166 CALL cp_fm_struct_create(mo_mo_fmstruct, nrow_global=nmo, ncol_global=nmo, &
2168 CALL cp_fm_create(matrix=mo_overlap_wfn, matrix_struct=mo_mo_fmstruct, &
2170 CALL cp_fm_create(matrix=inverse_mat, matrix_struct=mo_mo_fmstruct, &
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