Searched refs:psi_p1 (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, &
2242 CALL cp_fm_create(psi_p1, tmp_fm_struct)
2303 CALL cp_fm_set_all(psi_p1, 0.0_dp)
2317 CALL cp_fm_to_fm(psi1_p(ispin, iiB)%matrix, psi_p1, 1, istate, jstate)
2331 CALL cp_dbcsr_sm_fm_multiply(op_mom_ao(idir)%matrix, psi_p1, &
2345 CALL cp_dbcsr_sm_fm_multiply(op_mom_der_ao(idir2, idir)%matrix, psi_p1, &
2489 CALL cp_fm_release(psi_p1)
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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, &
2425 CALL cp_fm_create(psi_p1, tmp_fm_struct)
2486 CALL cp_fm_set_all(psi_p1, 0.0_dp)
2500 CALL cp_fm_to_fm(psi1_p(ispin, iiB)%matrix, psi_p1, 1, istate, jstate)
2514 CALL cp_dbcsr_sm_fm_multiply(op_mom_ao(idir)%matrix, psi_p1, &
2528 CALL cp_dbcsr_sm_fm_multiply(op_mom_der_ao(idir2, idir)%matrix, psi_p1, &
2672 CALL cp_fm_release(psi_p1)
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