Searched refs:d_sum_Pm_dR (Results 1 – 4 of 4) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_cdft_methods.F | 161 REAL(kind=dp), ALLOCATABLE, DIMENSION(:, :) :: d_sum_Pm_dR, dP_i_dRi local
289 ALLOCATE (d_sum_Pm_dR(3, natom))
312 d_sum_Pm_dR = 0.0_dp
461 d_sum_Pm_dR(:, iatom) = d_sum_Pm_dR(:, iatom) + dP_i_dRi(:, iatom)
480 … d_sum_Pm_dR(:, jatom) = d_sum_Pm_dR(:, jatom) + dP_i_dRj(:, iatom, jatom)
534 d_sum_Pm_dR(1:3, iatom)/(sum_cell_f_all**2)
556 DEALLOCATE (d_sum_Pm_dR)
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| H A D | mixed_cdft_methods.F | 3564 REAL(kind=dp), ALLOCATABLE, DIMENSION(:, :) :: d_sum_const_dR, d_sum_Pm_dR, & local
3626 ALLOCATE (d_sum_Pm_dR(3, natom))
3906 d_sum_Pm_dR = 0.0_dp
4034 d_sum_Pm_dR(:, iatom) = d_sum_Pm_dR(:, iatom) + dP_i_dRi(:, iatom)
4043 … d_sum_Pm_dR(:, jatom) = d_sum_Pm_dR(:, jatom) + dP_i_dRj(:, iatom, jatom)
4052 … d_sum_Pm_dR(:, jatom) = d_sum_Pm_dR(:, jatom) + dP_i_dRj(:, iatom, jatom)
4091 d_sum_Pm_dR(:, iatom)/(sum_cell_f_all**2)
4227 DEALLOCATE (d_sum_Pm_dR)
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_cdft_methods.F | 160 REAL(kind=dp), ALLOCATABLE, DIMENSION(:, :) :: d_sum_Pm_dR, dP_i_dRi local
288 ALLOCATE (d_sum_Pm_dR(3, natom))
311 d_sum_Pm_dR = 0.0_dp
460 d_sum_Pm_dR(:, iatom) = d_sum_Pm_dR(:, iatom) + dP_i_dRi(:, iatom)
479 … d_sum_Pm_dR(:, jatom) = d_sum_Pm_dR(:, jatom) + dP_i_dRj(:, iatom, jatom)
533 d_sum_Pm_dR(1:3, iatom)/(sum_cell_f_all**2)
555 DEALLOCATE (d_sum_Pm_dR)
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| H A D | mixed_cdft_methods.F | 3556 REAL(kind=dp), ALLOCATABLE, DIMENSION(:, :) :: d_sum_const_dR, d_sum_Pm_dR, & local
3618 ALLOCATE (d_sum_Pm_dR(3, natom))
3898 d_sum_Pm_dR = 0.0_dp
4026 d_sum_Pm_dR(:, iatom) = d_sum_Pm_dR(:, iatom) + dP_i_dRi(:, iatom)
4035 … d_sum_Pm_dR(:, jatom) = d_sum_Pm_dR(:, jatom) + dP_i_dRj(:, iatom, jatom)
4044 … d_sum_Pm_dR(:, jatom) = d_sum_Pm_dR(:, jatom) + dP_i_dRj(:, iatom, jatom)
4083 d_sum_Pm_dR(:, iatom)/(sum_cell_f_all**2)
4219 DEALLOCATE (d_sum_Pm_dR)
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