Searched refs:psi_D (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_linres_current.F | 2110 TYPE(cp_fm_type), POINTER :: mo_coeff, psi0, psi_D, psi_p1, psi_p2, & local
2129 op_mom_der_ao, center_list, centers_set, psi0, psi_rxp, psi_D, psi_p1, psi_p2, &
2240 CALL cp_fm_create(psi_D, tmp_fm_struct)
2302 CALL cp_fm_set_all(psi_D, 0.0_dp)
2314 … IF (current_env%full) CALL cp_fm_to_fm(psi1_D(ispin, iB)%matrix, psi_D, 1, istate, jstate)
2324 IF (current_env%full) CALL cp_fm_scale_and_add(1.0_dp, psi_rxp, -1.0_dp, psi_D)
2488 CALL cp_fm_release(psi_D)
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_linres_current.F | 2293 TYPE(cp_fm_type), POINTER :: mo_coeff, psi0, psi_D, psi_p1, psi_p2, & local
2312 op_mom_der_ao, center_list, centers_set, psi0, psi_rxp, psi_D, psi_p1, psi_p2, &
2423 CALL cp_fm_create(psi_D, tmp_fm_struct)
2485 CALL cp_fm_set_all(psi_D, 0.0_dp)
2497 … IF (current_env%full) CALL cp_fm_to_fm(psi1_D(ispin, iB)%matrix, psi_D, 1, istate, jstate)
2507 IF (current_env%full) CALL cp_fm_scale_and_add(1.0_dp, psi_rxp, -1.0_dp, psi_D)
2671 CALL cp_fm_release(psi_D)
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