| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/aobasis/ |
| H A D | ai_operators_r12.F | 107 omega, r_cutoff, rac, rac2, vac, v, maxder, vac_plus) argument
120 REAL(KIND=dp), DIMENSION(:, :), OPTIONAL :: vac_plus local
139 vac_plus = 0.0_dp
407 vac_plus(nap + i, ncp + j) = v(i, j, 1)
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| H A D | ai_coulomb.F | 83 rac, rac2, vac, v, f, maxder, vac_plus) argument
95 REAL(KIND=dp), DIMENSION(:, :), OPTIONAL :: vac_plus local
111 vac_plus = 0.0_dp
400 vac_plus(nap + i, nc + j) = v(i, j, 1)
440 rac, rac2, vac, v, f, maxder, vac_plus) argument
452 REAL(KIND=dp), DIMENSION(:, :), OPTIONAL :: vac_plus local
468 vac_plus = 0.0_dp
746 vac_plus(nap + i, ncp + j) = v(i, j, 1)
|
| /dports/science/cp2k-data/cp2k-7.1.0/src/aobasis/ |
| H A D | ai_operators_r12.F | 107 omega, r_cutoff, rac, rac2, vac, v, maxder, vac_plus) argument
120 REAL(KIND=dp), DIMENSION(:, :), OPTIONAL :: vac_plus local
139 vac_plus = 0.0_dp
407 vac_plus(nap + i, ncp + j) = v(i, j, 1)
|
| H A D | ai_coulomb.F | 83 rac, rac2, vac, v, f, maxder, vac_plus) argument
95 REAL(KIND=dp), DIMENSION(:, :), OPTIONAL :: vac_plus local
111 vac_plus = 0.0_dp
400 vac_plus(nap + i, nc + j) = v(i, j, 1)
440 rac, rac2, vac, v, f, maxder, vac_plus) argument
452 REAL(KIND=dp), DIMENSION(:, :), OPTIONAL :: vac_plus local
468 vac_plus = 0.0_dp
746 vac_plus(nap + i, ncp + j) = v(i, j, 1)
|
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | generic_os_integrals.F | 163 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: vac, vac_plus local
223 vac(ncoa, ncob), vac_plus(ncoap, ncobp), devab(ncoa, ncob, 3))
229 omega, r_cutoff, rab, rab2, vac, vwork, maxder=1, vac_plus=vac_plus)
231 vac_plus, devab(:, :, 1), devab(:, :, 2), devab(:, :, 3))
239 vac(ncoa, ncob), vac_plus(ncoap, ncobp), devab(ncoa, ncob, 3))
249 DEALLOCATE (vwork, vac, vac_plus, devab)
|
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | generic_os_integrals.F | 163 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: vac, vac_plus local
223 vac(ncoa, ncob), vac_plus(ncoap, ncobp), devab(ncoa, ncob, 3))
229 omega, r_cutoff, rab, rab2, vac, vwork, maxder=1, vac_plus=vac_plus)
231 vac_plus, devab(:, :, 1), devab(:, :, 2), devab(:, :, 3))
239 vac(ncoa, ncob), vac_plus(ncoap, ncobp), devab(ncoa, ncob, 3))
249 DEALLOCATE (vwork, vac, vac_plus, devab)
|