Searched refs:ef1_i (Results 1 – 6 of 6) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | ewalds_multipole_sr.fypp | 376 ef1_i(1) = ef1_i(1) - tij_a(1) * ch_j 377 ef1_i(2) = ef1_i(2) - tij_a(2) * ch_j 378 ef1_i(3) = ef1_i(3) - tij_a(3) * ch_j 385 ef1_i(1) = ef1_i(1) + damptij_a(1) * ch_j 386 ef1_i(2) = ef1_i(2) + damptij_a(2) * ch_j 387 ef1_i(3) = ef1_i(3) + damptij_a(3) * ch_j 459 ef1_i(1) = ef1_i(1) + (tij_ab(1,1)*dp_j(1)+& 462 ef1_i(2) = ef1_i(2) + (tij_ab(1,2)*dp_j(1)+& 465 ef1_i(3) = ef1_i(3) + (tij_ab(1,3)*dp_j(1)+& 733 ef1_i(1) = ef1_i(1) - fac*(tij_abc(1,1,1)*qp_j(1,1)+& [all …]
|
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
|
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
|
/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | ewalds_multipole_sr.fypp | 376 ef1_i(1) = ef1_i(1) - tij_a(1) * ch_j 377 ef1_i(2) = ef1_i(2) - tij_a(2) * ch_j 378 ef1_i(3) = ef1_i(3) - tij_a(3) * ch_j 385 ef1_i(1) = ef1_i(1) + damptij_a(1) * ch_j 386 ef1_i(2) = ef1_i(2) + damptij_a(2) * ch_j 387 ef1_i(3) = ef1_i(3) + damptij_a(3) * ch_j 459 ef1_i(1) = ef1_i(1) + (tij_ab(1,1)*dp_j(1)+& 462 ef1_i(2) = ef1_i(2) + (tij_ab(1,2)*dp_j(1)+& 465 ef1_i(3) = ef1_i(3) + (tij_ab(1,3)*dp_j(1)+& 733 ef1_i(1) = ef1_i(1) - fac*(tij_abc(1,1,1)*qp_j(1,1)+& [all …]
|
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
|
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
|