| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/aobasis/ |
| H A D | ai_contraction_sphi.F | 48 SUBROUTINE ab_contract(abint, sab, sphi_a, sphi_b, ncoa, ncob, nsgfa, nsgfb) argument
52 INTEGER, INTENT(IN) :: ncoa, ncob, nsgfa, nsgfb local
97 nsgfa, nsgfb, nsgfc) argument
101 INTEGER, INTENT(IN) :: ncoa, ncob, ncoc, nsgfa, nsgfb, nsgfc local
157 ncoc, ncod, nsgfa, nsgfb, nsgfc, nsgfd) argument
163 INTEGER, INTENT(IN) :: ncoa, ncob, ncoc, ncod, nsgfa, nsgfb, & local
243 nsgfa, nsgfb, nsgfc, cpp_buffer, ccp_buffer) argument
247 INTEGER, INTENT(IN) :: ncoa, ncob, ncoc, nsgfa, nsgfb, nsgfc local
|
| /dports/science/cp2k-data/cp2k-7.1.0/src/aobasis/ |
| H A D | ai_contraction_sphi.F | 39 SUBROUTINE ab_contract(abint, sab, sphi_a, sphi_b, ncoa, ncob, nsgfa, nsgfb) argument
43 INTEGER, INTENT(IN) :: ncoa, ncob, nsgfa, nsgfb local
88 nsgfa, nsgfb, nsgfc) argument
92 INTEGER, INTENT(IN) :: ncoa, ncob, ncoc, nsgfa, nsgfb, nsgfc local
148 ncoc, ncod, nsgfa, nsgfb, nsgfc, nsgfd) argument
154 INTEGER, INTENT(IN) :: ncoa, ncob, ncoc, ncod, nsgfa, nsgfb, & local
|
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | hfx_communication.F | 94 INTEGER, DIMENSION(:), POINTER :: nsgfa, nsgfb local
221 INTEGER, DIMENSION(:), POINTER :: nsgfa, nsgfb local
458 INTEGER, DIMENSION(:), POINTER :: iatom_list, jatom_list, nsgfa, nsgfb local
|
| H A D | generic_os_integrals.F | 160 npgfb, nsgfa, nsgfb local
285 npgfb, nsgfa, nsgfb local
413 npgfb, nsgfa, nsgfb local
523 nsgfb, nsgfca local
685 nsgfb, nsgfcb local
840 npgfb, nsgfa, nsgfb local
|
| H A D | hfx_screening_methods.F | 154 INTEGER, DIMENSION(:), POINTER :: nsgfb, nsgfc local
323 npgfb, nsgfa, nsgfb local
676 npgfb, nsgfa, nsgfb local
|
| H A D | qs_efield_berry.F | 199 npgfb, nsgfa, nsgfb local
683 npgfb, nsgfa, nsgfb local
1185 ncob, nsgfb, sgfb, sphi_b, ldsb, & argument
1191 INTEGER, INTENT(IN) :: ldsa, ncob, nsgfb, sgfb local
|
| H A D | hfx_libint_interface.F | 379 nsgfa, nsgfb, nsgfc, nsgfd, & argument
394 ncod, nsgfa, nsgfb, nsgfc, nsgfd local
1454 nsgfa, nsgfb, nsgfc, nsgfd, & argument
1467 ncod, nsgfa, nsgfb, nsgfc, nsgfd local
|
| H A D | qs_fermi_contact.F | 85 npgfb, nsgfa, nsgfb local
|
| H A D | qs_spin_orbit.F | 84 npgfb, nsgfa, nsgfb local
|
| H A D | qs_elec_field.F | 85 npgfb, nsgfa, nsgfb local
|
| H A D | mp2_eri.F | 145 npgfb, nsgfa, nsgfb local
364 … offset_set_a, offset_set_b, sphi_a, sphi_b, sgfa, sgfb, nsgfa, nsgfb, & argument
382 INTEGER, INTENT(IN) :: sgfb, nsgfb, eri_method local
655 nsgfb, nsgfc local
1073 nsgfa, nsgfb, nsgfc, & argument
1094 INTEGER, INTENT(IN) :: sgfa, sgfb, sgfc, nsgfa, nsgfb, nsgfc, & local
|
| H A D | qs_operators_ao.F | 81 npgfb, nsgfa, nsgfb local
436 npgfb, nsgfa, nsgfb local
811 npgfb, nsgfa, nsgfb local
1080 nsgfa, nsgfb local
1342 npgfb, nsgfa, nsgfb local
|
| H A D | qs_overlap.F | 189 npgfb, nsgfa, nsgfb local
574 npgfb, nsgfa, nsgfb local
801 npgfb, nsgfa, nsgfb local
|
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | hfx_communication.F | 94 INTEGER, DIMENSION(:), POINTER :: nsgfa, nsgfb local
221 INTEGER, DIMENSION(:), POINTER :: nsgfa, nsgfb local
458 INTEGER, DIMENSION(:), POINTER :: iatom_list, jatom_list, nsgfa, nsgfb local
|
| H A D | generic_os_integrals.F | 160 npgfb, nsgfa, nsgfb local
285 npgfb, nsgfa, nsgfb local
413 npgfb, nsgfa, nsgfb local
523 nsgfb, nsgfca local
685 nsgfb, nsgfcb local
840 npgfb, nsgfa, nsgfb local
|
| H A D | hfx_screening_methods.F | 154 INTEGER, DIMENSION(:), POINTER :: nsgfb, nsgfc local
323 npgfb, nsgfa, nsgfb local
676 npgfb, nsgfa, nsgfb local
|
| H A D | qs_efield_berry.F | 199 npgfb, nsgfa, nsgfb local
683 npgfb, nsgfa, nsgfb local
1185 ncob, nsgfb, sgfb, sphi_b, ldsb, & argument
1191 INTEGER, INTENT(IN) :: ldsa, ncob, nsgfb, sgfb local
|
| H A D | hfx_libint_interface.F | 379 nsgfa, nsgfb, nsgfc, nsgfd, & argument
394 ncod, nsgfa, nsgfb, nsgfc, nsgfd local
1454 nsgfa, nsgfb, nsgfc, nsgfd, & argument
1467 ncod, nsgfa, nsgfb, nsgfc, nsgfd local
|
| H A D | qs_elec_field.F | 85 npgfb, nsgfa, nsgfb local
|
| H A D | qs_fermi_contact.F | 85 npgfb, nsgfa, nsgfb local
|
| H A D | qs_spin_orbit.F | 84 npgfb, nsgfa, nsgfb local
|
| H A D | mp2_eri.F | 145 npgfb, nsgfa, nsgfb local
365 … offset_set_a, offset_set_b, sphi_a, sphi_b, sgfa, sgfb, nsgfa, nsgfb, & argument
383 INTEGER, INTENT(IN) :: sgfb, nsgfb, eri_method local
656 nsgfb, nsgfc local
1074 nsgfa, nsgfb, nsgfc, & argument
1095 INTEGER, INTENT(IN) :: sgfa, sgfb, sgfc, nsgfa, nsgfb, nsgfc, & local
|
| H A D | qs_overlap.F | 143 npgfb, nsgfa, nsgfb local
487 npgfb, nsgfa, nsgfb local
694 npgfb, nsgfa, nsgfb local
|
| H A D | qs_operators_ao.F | 81 npgfb, nsgfa, nsgfb local
436 npgfb, nsgfa, nsgfb local
811 npgfb, nsgfa, nsgfb local
1080 nsgfa, nsgfb local
1342 npgfb, nsgfa, nsgfb local
|
| H A D | qs_kinetic.F | 116 npgfb, nsgfa, nsgfb local
|