Searched refs:rho1_h_tot (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_gapw_densities.F | 63 REAL(dp), DIMENSION(:), POINTER :: rho1_h_tot, rho1_s_tot local
84 NULLIFY (rho1_h_tot, rho1_s_tot)
122 ALLOCATE (rho1_h_tot(1:nspins), rho1_s_tot(1:nspins))
123 rho1_h_tot = 0.0_dp
133 atom_list, natom, nspins, rho1_h_tot, rho1_s_tot)
144 CALL mp_sum(rho1_h_tot, para_env%group)
147 qs_charges%total_rho1_hard(ispin) = -rho1_h_tot(ispin)
175 DEALLOCATE (rho1_h_tot, rho1_s_tot)
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_gapw_densities.F | 62 REAL(dp), DIMENSION(:), POINTER :: rho1_h_tot, rho1_s_tot local
86 NULLIFY (rho1_h_tot, rho1_s_tot)
117 ALLOCATE (rho1_h_tot(1:nspins), rho1_s_tot(1:nspins))
118 rho1_h_tot = 0.0_dp
130 atom_list, grid_atom, natom, nspins, rho1_h_tot, rho1_s_tot)
140 CALL mp_sum(rho1_h_tot, para_env%group)
143 qs_charges%total_rho1_hard(ispin) = -rho1_h_tot(ispin)
170 DEALLOCATE (rho1_h_tot, rho1_s_tot)
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