Searched refs:ef1_j (Results 1 – 6 of 6) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | ewalds_multipole_sr.fypp | 380 ef1_j(1) = ef1_j(1) + tij_a(1) * ch_i 381 ef1_j(2) = ef1_j(2) + tij_a(2) * ch_i 382 ef1_j(3) = ef1_j(3) + tij_a(3) * ch_i 389 ef1_j(1) = ef1_j(1) - damptji_a(1) * ch_i 390 ef1_j(2) = ef1_j(2) - damptji_a(2) * ch_i 391 ef1_j(3) = ef1_j(3) - damptji_a(3) * ch_i 469 ef1_j(1) = ef1_j(1) + (tij_ab(1,1)*dp_i(1)+& 472 ef1_j(2) = ef1_j(2) + (tij_ab(1,2)*dp_i(1)+& 475 ef1_j(3) = ef1_j(3) + (tij_ab(1,3)*dp_i(1)+& 761 ef1_j(1) = ef1_j(1) + fac*(tij_abc(1,1,1)*qp_i(1,1)+& [all …]
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H A D | se_fock_matrix_integrals.F | 1099 REAL(KIND=dp), DIMENSION(3) :: dp_i, dp_j, ef1_i, ef1_j, fr, tij_a local
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H A D | ewalds_multipole.F | 386 dp_j, ef1_i, ef1_j, fr, rab, tij_a local 560 REAL(KIND=dp), DIMENSION(3) :: dp_i, dp_j, ef1_i, ef1_j, fr, rab, tij_a local
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | ewalds_multipole_sr.fypp | 380 ef1_j(1) = ef1_j(1) + tij_a(1) * ch_i 381 ef1_j(2) = ef1_j(2) + tij_a(2) * ch_i 382 ef1_j(3) = ef1_j(3) + tij_a(3) * ch_i 389 ef1_j(1) = ef1_j(1) - damptji_a(1) * ch_i 390 ef1_j(2) = ef1_j(2) - damptji_a(2) * ch_i 391 ef1_j(3) = ef1_j(3) - damptji_a(3) * ch_i 469 ef1_j(1) = ef1_j(1) + (tij_ab(1,1)*dp_i(1)+& 472 ef1_j(2) = ef1_j(2) + (tij_ab(1,2)*dp_i(1)+& 475 ef1_j(3) = ef1_j(3) + (tij_ab(1,3)*dp_i(1)+& 761 ef1_j(1) = ef1_j(1) + fac*(tij_abc(1,1,1)*qp_i(1,1)+& [all …]
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H A D | se_fock_matrix_integrals.F | 1099 REAL(KIND=dp), DIMENSION(3) :: dp_i, dp_j, ef1_i, ef1_j, fr, tij_a local
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H A D | ewalds_multipole.F | 389 dp_j, ef1_i, ef1_j, fr, rab, tij_a local 563 REAL(KIND=dp), DIMENSION(3) :: dp_i, dp_j, ef1_i, ef1_j, fr, rab, tij_a local
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