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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dewalds_multipole_sr.fypp407 ef2_j(1,1) = ef2_j(1,1) - tij_ab(1,1) * ch_i
408 ef2_j(2,1) = ef2_j(2,1) - tij_ab(2,1) * ch_i
911 ef2_j(1,1) = ef2_j(1,1) - tmp11
912 ef2_j(1,2) = ef2_j(1,2) - tmp12
913 ef2_j(1,3) = ef2_j(1,3) - tmp13
914 ef2_j(2,1) = ef2_j(2,1) - tmp12
915 ef2_j(2,2) = ef2_j(2,2) - tmp22
916 ef2_j(2,3) = ef2_j(2,3) - tmp23
917 ef2_j(3,1) = ef2_j(3,1) - tmp13
918 ef2_j(3,2) = ef2_j(3,2) - tmp23
[all …]
H A Dse_fock_matrix_integrals.F1100 REAL(KIND=dp), DIMENSION(3, 3) :: ef2_i, ef2_j, qp_i, qp_j, tij_ab local
H A Dewalds_multipole.F387 REAL(KIND=dp), DIMENSION(3, 3) :: damptij_ab, damptji_ab, ef2_i, ef2_j, & local
561 REAL(KIND=dp), DIMENSION(3, 3) :: ef2_i, ef2_j, qp_i, qp_j, tij_ab local
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dewalds_multipole_sr.fypp407 ef2_j(1,1) = ef2_j(1,1) - tij_ab(1,1) * ch_i
408 ef2_j(2,1) = ef2_j(2,1) - tij_ab(2,1) * ch_i
911 ef2_j(1,1) = ef2_j(1,1) - tmp11
912 ef2_j(1,2) = ef2_j(1,2) - tmp12
913 ef2_j(1,3) = ef2_j(1,3) - tmp13
914 ef2_j(2,1) = ef2_j(2,1) - tmp12
915 ef2_j(2,2) = ef2_j(2,2) - tmp22
916 ef2_j(2,3) = ef2_j(2,3) - tmp23
917 ef2_j(3,1) = ef2_j(3,1) - tmp13
918 ef2_j(3,2) = ef2_j(3,2) - tmp23
[all …]
H A Dse_fock_matrix_integrals.F1100 REAL(KIND=dp), DIMENSION(3, 3) :: ef2_i, ef2_j, qp_i, qp_j, tij_ab local
H A Dewalds_multipole.F390 REAL(KIND=dp), DIMENSION(3, 3) :: damptij_ab, damptji_ab, ef2_i, ef2_j, & local
564 REAL(KIND=dp), DIMENSION(3, 3) :: ef2_i, ef2_j, qp_i, qp_j, tij_ab local