nphi_prev (reference) in projects: dports

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Searched refs:nphi_prev (Results 1 – 4 of 4) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A D	topology_psf.F	297 nphi_prev = 0 319 index_now = nphi_prev + iphi - 1 338 conn_info%phi_a(nphi_prev + 1:) = conn_info%phi_a(nphi_prev + 1:) + natom_prev 339 conn_info%phi_b(nphi_prev + 1:) = conn_info%phi_b(nphi_prev + 1:) + natom_prev 340 conn_info%phi_c(nphi_prev + 1:) = conn_info%phi_c(nphi_prev + 1:) + natom_prev 341 conn_info%phi_d(nphi_prev + 1:) = conn_info%phi_d(nphi_prev + 1:) + natom_prev 346 nphi_prev = 0 387 conn_info%impr_a(nphi_prev + 1:) = conn_info%impr_a(nphi_prev + 1:) + natom_prev 388 conn_info%impr_b(nphi_prev + 1:) = conn_info%impr_b(nphi_prev + 1:) + natom_prev 389 conn_info%impr_c(nphi_prev + 1:) = conn_info%impr_c(nphi_prev + 1:) + natom_prev [all …]
H A D	topology_amber.F	`386 nbper, ndper, ngper, nhparm, nmxrs, nnb, nparm, nphb, nphi_prev, nphia, nphih, nptra, & local 714 nphi_prev = 0 715 IF (ASSOCIATED(conn_info%phi_a)) nphi_prev = SIZE(conn_info%phi_a) 717 CALL reallocate(conn_info%phi_a, 1, nphi_prev + nphih + nphia) 718 CALL reallocate(conn_info%phi_b, 1, nphi_prev + nphih + nphia) 719 CALL reallocate(conn_info%phi_c, 1, nphi_prev + nphih + nphia) 720 CALL reallocate(conn_info%phi_d, 1, nphi_prev + nphih + nphia) 740 unique_torsions = nphi_prev + 1`
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A D	topology_psf.F	297 nphi_prev = 0 319 index_now = nphi_prev + iphi - 1 338 conn_info%phi_a(nphi_prev + 1:) = conn_info%phi_a(nphi_prev + 1:) + natom_prev 339 conn_info%phi_b(nphi_prev + 1:) = conn_info%phi_b(nphi_prev + 1:) + natom_prev 340 conn_info%phi_c(nphi_prev + 1:) = conn_info%phi_c(nphi_prev + 1:) + natom_prev 341 conn_info%phi_d(nphi_prev + 1:) = conn_info%phi_d(nphi_prev + 1:) + natom_prev 346 nphi_prev = 0 387 conn_info%impr_a(nphi_prev + 1:) = conn_info%impr_a(nphi_prev + 1:) + natom_prev 388 conn_info%impr_b(nphi_prev + 1:) = conn_info%impr_b(nphi_prev + 1:) + natom_prev 389 conn_info%impr_c(nphi_prev + 1:) = conn_info%impr_c(nphi_prev + 1:) + natom_prev [all …]
H A D	topology_amber.F	`386 nbper, ndper, ngper, nhparm, nmxrs, nnb, nparm, nphb, nphi_prev, nphia, nphih, nptra, & local 714 nphi_prev = 0 715 IF (ASSOCIATED(conn_info%phi_a)) nphi_prev = SIZE(conn_info%phi_a) 717 CALL reallocate(conn_info%phi_a, 1, nphi_prev + nphih + nphia) 718 CALL reallocate(conn_info%phi_b, 1, nphi_prev + nphih + nphia) 719 CALL reallocate(conn_info%phi_c, 1, nphi_prev + nphih + nphia) 720 CALL reallocate(conn_info%phi_d, 1, nphi_prev + nphih + nphia) 740 unique_torsions = nphi_prev + 1`