Searched defs:tddfpt_apply_energy_diff (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_tddfpt2_operators.F | 85 SUBROUTINE tddfpt_apply_energy_diff(Aop_evects, evects, S_evects, gs_mos, matrix_ks) subroutine
91 CHARACTER(LEN=*), PARAMETER :: routineN = 'tddfpt_apply_energy_diff', & argument
92 routineP = moduleN//':'//routineN
94 INTEGER :: handle, ispin, ivect, nactive, nao, &
95 nspins, nvects
96 TYPE(cp_fm_struct_type), POINTER :: matrix_struct
97 TYPE(cp_fm_type), POINTER :: hevec
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_tddfpt2_methods.F | 1770 …SUBROUTINE tddfpt_apply_energy_diff(Aop_evects, evects, S_evects, gs_mos, matrix_ks, work_fm_ao_mo… subroutine
1777 CHARACTER(LEN=*), PARAMETER :: routineN = 'tddfpt_apply_energy_diff', & argument
1778 routineP = moduleN//':'//routineN
1780 INTEGER :: handle, ispin, ivect, nspins, nvects
1781 INTEGER, DIMENSION(maxspins) :: nmo_occ
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