Searched refs:int_so (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | xas_tdp_atom.F | 2020 TYPE(cp_2d_r_p_type), ALLOCATABLE, DIMENSION(:) :: int_so, vxc local
2081 ALLOCATE (int_so(ub))
2085 ALLOCATE (int_so(i)%array(nsotot, nsotot))
2145 int_so(i)%array(startj + jso, 1:nsoi) = int_so(i)%array(1:nsoi, startj + jso)
2166 DEALLOCATE (int_so(i)%array)
2168 DEALLOCATE (vxc, vxg, int_so)
2810 ALLOCATE (int_so(nsotot, nsotot))
2817 int_so = 0.0_dp
2919 ALLOCATE (int_so(nsotot, nsotot))
2920 int_so = 0.0_dp
[all …]
|
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | xas_tdp_atom.F | 2168 ALLOCATE (int_so(ub))
2172 ALLOCATE (int_so(i)%array(nsotot, nsotot))
2254 CALL mp_sum(int_so(i)%array, batch_info%para_env%group)
2263 DEALLOCATE (int_so(i)%array)
2265 DEALLOCATE (vxc, vxg, int_so)
2874 ALLOCATE (int_so(nsotot, nsotot))
2881 int_so = 0.0_dp
2981 ALLOCATE (int_so(nsotot, nsotot))
2982 int_so = 0.0_dp
2983 CALL integrate_so_prod(int_so, fxc, ikind, xas_atom_env, qs_env)
[all …]
|