Searched refs:rho_1c (Results 1 – 10 of 10) sorted by relevance
/dports/science/quantum-espresso/q-e-qe-6.7.0/TDDFPT/src/ |
H A D | lr_calc_dens.f90 | 39 & n_ipol, becp1_virt, rho_1c,& 97 rho_1c(:,:) = (0.0d0, 0.0d0) 122 IF ( doublegrid ) CALL fft_interpolate(dffts, rho_1c(:,1), dfftp, rho_1c(:,1)) 154 rho_1c(:,is) = rho_1c(:,is) + psic(:) 171 CALL mp_sum(rho_1c, inter_pool_comm) 618 rho_1c(ir,:) = rho_1c(ir,:) &
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H A D | lr_dealloc.f90 | 62 IF (allocated(rho_1c)) DEALLOCATE(rho_1c)
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H A D | lr_alloc_init.f90 | 165 ALLOCATE(rho_1c(dfftp%nnr,nspin_mag)) 166 rho_1c(:,:)=(0.0d0,0.0d0)
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H A D | lr_variables.f90 | 92 rho_1c(:,:) ! response charge density in real space variable
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H A D | lr_apply_liouvillian.f90 | 41 USE lr_variables, ONLY : evc0, sevc0, revc0, rho_1, rho_1c, & 166 dvrsc(:,1) = rho_1c(:,1)
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H A D | lr_dav_routines.f90 | 1858 use lr_variables, only : evc0, sevc0,R, nbnd_total,evc0_virt,rho_1,rho_1c 1899 rhoc(:)=rho_1c(:,1) 1905 rhoc(:)=rhoc(:)+rho_1c(:,1)
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | lri_environment_methods.F | 856 lri_env%stat%rho_1c = 0.0_dp 949 lri_env%stat%rho_1c = lri_env%stat%rho_1c + str 1250 ppli_mem, ppx, rho_1c, rho_ff, rho_sr, rho_tt, rhos_mem local 1274 rho_1c = lri_env%stat%rho_1c 1276 rho_1c = 0.0_dp 1316 ppx = rho_1c/rho_tt*100._dp 1318 "[", ppx, "%]", rho_1c
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H A D | lri_environment_types.F | 258 REAL(KIND=dp) :: rho_1c component
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | lri_environment_methods.F | 856 lri_env%stat%rho_1c = 0.0_dp 949 lri_env%stat%rho_1c = lri_env%stat%rho_1c + str 1250 ppli_mem, ppx, rho_1c, rho_ff, rho_sr, rho_tt, rhos_mem local 1274 rho_1c = lri_env%stat%rho_1c 1276 rho_1c = 0.0_dp 1316 ppx = rho_1c/rho_tt*100._dp 1318 "[", ppx, "%]", rho_1c
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H A D | lri_environment_types.F | 258 REAL(KIND=dp) :: rho_1c component
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