Searched refs:rr_rxp (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_linres_current.F | 2108 rr_rxp local
2130 op_p_ao, psi1_p, psi1_rxp, psi1_D, p_rxp, r_p1, r_p2, rr_rxp, rr_p1, rr_p2, &
2246 ALLOCATE (p_rxp(3), r_p1(3), r_p2(3), rr_rxp(9, 3), rr_p1(9, 3), rr_p2(9, 3))
2255 CALL cp_fm_create(rr_rxp(idir2, idir)%matrix, tmp_fm_struct)
2341 … rr_rxp(idir2, idir)%matrix, ncol=nstate_loc, alpha=1.e0_dp)
2372 CALL cp_fm_trace(psi0, rr_rxp(ii, iii)%matrix, contrib)
2376 CALL cp_fm_trace(psi0, rr_rxp(iii, ii)%matrix, contrib)
2496 CALL cp_fm_release(rr_rxp(idir2, idir)%matrix)
2501 DEALLOCATE (p_rxp, r_p1, r_p2, rr_rxp, rr_p1, rr_p2)
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_linres_current.F | 2291 rr_rxp local
2313 op_p_ao, psi1_p, psi1_rxp, psi1_D, p_rxp, r_p1, r_p2, rr_rxp, rr_p1, rr_p2, &
2429 ALLOCATE (p_rxp(3), r_p1(3), r_p2(3), rr_rxp(9, 3), rr_p1(9, 3), rr_p2(9, 3))
2438 CALL cp_fm_create(rr_rxp(idir2, idir)%matrix, tmp_fm_struct)
2524 … rr_rxp(idir2, idir)%matrix, ncol=nstate_loc, alpha=1.e0_dp)
2555 CALL cp_fm_trace(psi0, rr_rxp(ii, iii)%matrix, contrib)
2559 CALL cp_fm_trace(psi0, rr_rxp(iii, ii)%matrix, contrib)
2679 CALL cp_fm_release(rr_rxp(idir2, idir)%matrix)
2684 DEALLOCATE (p_rxp, r_p1, r_p2, rr_rxp, rr_p1, rr_p2)
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