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Searched refs:pao_basis_size (Results 1 – 12 of 12) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dpao_io.F73 INTEGER :: pao_basis_size = -1 component
256 kinds(ikind)%pao_basis_size = i1
338 INTEGER :: ipot, nparams, pao_basis_size, z local
354 pao_basis_size=pao_basis_size, &
368 IF (pao_kind%pao_basis_size /= pao_basis_size) &
504 pao_basis_size, z local
528 pao_basis_size=pao_basis_size, &
535 WRITE (unit_nr, "(A,5X,I10,1X,I3)") "PaoBasis", ikind, pao_basis_size
H A Dpao_param_exp.F132 INTEGER :: cols, pao_basis_size, pri_basis_size, & local
140 pao_basis_size=pao_basis_size)
144 rows = pao_basis_size
145 cols = pri_basis_size - pao_basis_size
H A Dpao_ml.F297 INTEGER :: ikind, pao_basis_size local
307 CALL get_qs_kind(qs_kind_set(ikind), basis_set=basis_set, pao_basis_size=pao_basis_size)
308 IF (pao_basis_size /= basis_set%nsgf) & ! if this kind has pao enabled...
H A Dpao_param_linpot.F316 INTEGER :: pao_basis_size local
324 pao_basis_size=pao_basis_size)
326 IF (pao_basis_size == basis_set%nsgf) THEN
H A Dpao_methods.F99 INTEGER :: handle, i, ikind, pao_basis_size local
111 pao_basis_size=pao_basis_size, &
115 IF (pao_basis_size < 1) THEN
117 CALL set_qs_kind(qs_kind_set(ikind), pao_basis_size=basis_set%nsgf)
275 CALL get_qs_kind(qs_kind_set(ikind), pao_basis_size=M)
H A Dqs_kind_types.F206 INTEGER :: pao_basis_size = -1 component
436 pao_basis_size, pao_potentials, pao_descriptors, nelec) argument
485 INTEGER, INTENT(OUT), OPTIONAL :: pao_basis_size local
760 IF (PRESENT(pao_basis_size)) pao_basis_size = qs_kind%pao_basis_size
1589 i_val=qs_kind%pao_basis_size)
2649 elec_conf, pao_basis_size) argument
2664 INTEGER, INTENT(IN), OPTIONAL :: pao_basis_size local
2708 IF (PRESENT(pao_basis_size)) qs_kind%pao_basis_size = pao_basis_size
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dpao_io.F73 INTEGER :: pao_basis_size = -1 component
256 kinds(ikind)%pao_basis_size = i1
338 INTEGER :: ipot, nparams, pao_basis_size, z local
354 pao_basis_size=pao_basis_size, &
368 IF (pao_kind%pao_basis_size /= pao_basis_size) &
504 pao_basis_size, z local
528 pao_basis_size=pao_basis_size, &
535 WRITE (unit_nr, "(A,5X,I10,1X,I3)") "PaoBasis", ikind, pao_basis_size
H A Dpao_param_exp.F132 INTEGER :: cols, pao_basis_size, pri_basis_size, & local
140 pao_basis_size=pao_basis_size)
144 rows = pao_basis_size
145 cols = pri_basis_size - pao_basis_size
H A Dpao_ml.F297 INTEGER :: ikind, pao_basis_size local
307 CALL get_qs_kind(qs_kind_set(ikind), basis_set=basis_set, pao_basis_size=pao_basis_size)
308 IF (pao_basis_size /= basis_set%nsgf) & ! if this kind has pao enabled...
H A Dpao_param_linpot.F316 INTEGER :: pao_basis_size local
324 pao_basis_size=pao_basis_size)
326 IF (pao_basis_size == basis_set%nsgf) THEN
H A Dpao_methods.F99 INTEGER :: handle, i, ikind, pao_basis_size local
111 pao_basis_size=pao_basis_size, &
115 IF (pao_basis_size < 1) THEN
117 CALL set_qs_kind(qs_kind_set(ikind), pao_basis_size=basis_set%nsgf)
275 CALL get_qs_kind(qs_kind_set(ikind), pao_basis_size=M)
H A Dqs_kind_types.F205 INTEGER :: pao_basis_size = -1 component
434 pao_basis_size, pao_potentials, pao_descriptors, nelec) argument
483 INTEGER, INTENT(OUT), OPTIONAL :: pao_basis_size local
758 IF (PRESENT(pao_basis_size)) pao_basis_size = qs_kind%pao_basis_size
1600 i_val=qs_kind%pao_basis_size)
2659 elec_conf, pao_basis_size) argument
2674 INTEGER, INTENT(IN), OPTIONAL :: pao_basis_size local
2718 IF (PRESENT(pao_basis_size)) qs_kind%pao_basis_size = pao_basis_size