Searched refs:sabdc (Results 1 – 4 of 4) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_o3c_methods.F | 65 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :, :) :: iabdc, iadbc, idabc, sabdc, sdabc local
205 ALLOCATE (sabdc(ncoa, ncob, ncoc, 3))
206 sabdc(:, :, :, :) = 0.0_dp
210 rij, dij, rik, dik, rjk, djk, sabc, sdabc, sabdc)
231 CALL abc_contract(sabc_contr, sabdc(:, :, :, i), &
243 DEALLOCATE (sdabc, sabdc)
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_o3c_methods.F | 84 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :, :) :: iabdc, iadbc, idabc, sabdc, sdabc local
224 ALLOCATE (sabdc(ncoa, ncob, ncoc, 3))
225 sabdc(:, :, :, :) = 0.0_dp
229 rij, dij, rik, dik, rjk, djk, sabc, sdabc, sabdc)
250 CALL abc_contract(sabc_contr, sabdc(:, :, :, i), &
262 DEALLOCATE (sdabc, sabdc)
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/aobasis/ |
| H A D | ai_overlap3.F | 104 sdabc, sabdc, int_abc_ext) argument
121 INTENT(INOUT), OPTIONAL :: sdabc, sabdc local
146 IF (PRESENT(sabdc)) lci = 1
161 IF (PRESENT(sabdc)) THEN
1013 IF (PRESENT(sdabc) .OR. PRESENT(sabdc)) THEN
1033 IF (PRESENT(sabdc)) THEN
1038 sabdc(na + i, nb + j, ndc + l, k) = sdc(i, j, l, k)
1060 IF (PRESENT(sabdc)) THEN
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| /dports/science/cp2k-data/cp2k-7.1.0/src/aobasis/ |
| H A D | ai_overlap3.F | 102 rab, dab, rac, dac, rbc, dbc, sabc, sdabc, sabdc) argument
119 INTENT(INOUT), OPTIONAL :: sdabc, sabdc local
143 IF (PRESENT(sabdc)) lci = 1
158 IF (PRESENT(sabdc)) THEN
996 IF (PRESENT(sdabc) .OR. PRESENT(sabdc)) THEN
1016 IF (PRESENT(sabdc)) THEN
1021 sabdc(na + i, nb + j, ndc + l, k) = sdc(i, j, l, k)
1043 IF (PRESENT(sabdc)) THEN
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