Searched refs:tij_ab (Results 1 – 6 of 6) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | ewalds_multipole_sr.fypp | 13 tij_ab = HUGE(0.0_dp) 114 tij_ab(a,b) = 3.0_dp*tmp*f(2) 115 IF (a==b) tij_ab(a,b) = tij_ab(a,b) - f(1)*fac_ij 421 tmp= - (dp_i(1)*(tij_ab(1,1)*dp_j(1)+& 422 tij_ab(2,1)*dp_j(2)+& 423 tij_ab(3,1)*dp_j(3))+& 424 dp_i(2)*(tij_ab(1,2)*dp_j(1)+& 425 tij_ab(2,2)*dp_j(2)+& 427 dp_i(3)*(tij_ab(1,3)*dp_j(1)+& 428 tij_ab(2,3)*dp_j(2)+& [all …]
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H A D | se_fock_matrix_integrals.F | 1100 REAL(KIND=dp), DIMENSION(3, 3) :: ef2_i, ef2_j, qp_i, qp_j, tij_ab local
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H A D | ewalds_multipole.F | 388 qp_i, qp_j, tij_ab local 561 REAL(KIND=dp), DIMENSION(3, 3) :: ef2_i, ef2_j, qp_i, qp_j, tij_ab local
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | ewalds_multipole_sr.fypp | 13 tij_ab = HUGE(0.0_dp) 114 tij_ab(a,b) = 3.0_dp*tmp*f(2) 115 IF (a==b) tij_ab(a,b) = tij_ab(a,b) - f(1)*fac_ij 421 tmp= - (dp_i(1)*(tij_ab(1,1)*dp_j(1)+& 422 tij_ab(2,1)*dp_j(2)+& 423 tij_ab(3,1)*dp_j(3))+& 424 dp_i(2)*(tij_ab(1,2)*dp_j(1)+& 425 tij_ab(2,2)*dp_j(2)+& 427 dp_i(3)*(tij_ab(1,3)*dp_j(1)+& 428 tij_ab(2,3)*dp_j(2)+& [all …]
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H A D | se_fock_matrix_integrals.F | 1100 REAL(KIND=dp), DIMENSION(3, 3) :: ef2_i, ef2_j, qp_i, qp_j, tij_ab local
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H A D | ewalds_multipole.F | 391 qp_i, qp_j, tij_ab local 564 REAL(KIND=dp), DIMENSION(3, 3) :: ef2_i, ef2_j, qp_i, qp_j, tij_ab local
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