Searched defs:ewald_multipole_bonded (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | ewalds_multipole.F | 546 CHARACTER(len=*), PARAMETER :: routineN = 'ewald_multipole_bonded', & argument
549 INTEGER :: a, atom_a, atom_b, b, c, d, e, handle, &
550 i, iend, igrp, ilist, ipair, istart, &
551 k, nscale
553 LOGICAL :: do_efield0, do_efield1, do_efield2, &
555 REAL(KIND=dp) :: alpha, ch_i, ch_j, ef0_i, ef0_j, eloc, fac, fac_ij, ir, irab2, ptens11, &
556 … ptens12, ptens13, ptens21, ptens22, ptens23, ptens31, ptens32, ptens33, r, rab2, tij, &
557 … tmp, tmp1, tmp11, tmp12, tmp13, tmp2, tmp21, tmp22, tmp23, tmp31, tmp32, tmp33, tmp_ij, &
558 tmp_ji
560 REAL(KIND=dp), DIMENSION(3) :: dp_i, dp_j, ef1_i, ef1_j, fr, rab, tij_a
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | ewalds_multipole.F | 549 CHARACTER(len=*), PARAMETER :: routineN = 'ewald_multipole_bonded', & argument
552 INTEGER :: a, atom_a, atom_b, b, c, d, e, handle, &
553 i, iend, igrp, ilist, ipair, istart, &
554 k, nscale
556 LOGICAL :: do_efield0, do_efield1, do_efield2, &
558 REAL(KIND=dp) :: alpha, ch_i, ch_j, ef0_i, ef0_j, eloc, fac, fac_ij, ir, irab2, ptens11, &
559 ptens12, ptens13, ptens21, ptens22, ptens23, ptens31, ptens32, ptens33, r, rab2, tij, &
560 tmp, tmp1, tmp11, tmp12, tmp13, tmp2, tmp21, tmp22, tmp23, tmp31, tmp32, tmp33, tmp_ij, &
561 tmp_ji
563 REAL(KIND=dp), DIMENSION(3) :: dp_i, dp_j, ef1_i, ef1_j, fr, rab, tij_a
[all …]
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