Searched refs:int_sgf (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | xas_tdp_atom.F | 2098 REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: int_sgf, res, so, work local
2252 ALLOCATE (int_sgf(nsgf, nsgf))
2255 CALL contract_so2sgf(int_sgf, int_so(i)%array, ri_basis, ri_sphi_so)
2256 CALL daxpy(nsgf*nsgf, 1.0_dp, int_sgf, 1, int_fxc(iatom, i)%array, 1)
2999 SUBROUTINE contract_so2sgf(int_sgf, int_so, basis, sphi_so) argument
3001 REAL(dp), DIMENSION(:, :) :: int_sgf, int_so local
3028 … CALL ab_contract(int_sgf(sgfi:sgfi + nsgf_set(iset) - 1, sgfj:sgfj + nsgf_set(jset) - 1), &
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | xas_tdp_atom.F | 2016 REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: int_sgf, res, so, work local
2156 ALLOCATE (int_sgf(nsgf, nsgf))
2158 CALL contract_so2sgf(int_sgf, int_so(i)%array, ri_basis, ri_sphi_so)
2159 CALL daxpy(nsgf*nsgf, 1.0_dp, int_sgf, 1, int_fxc(iatom, i)%array, 1)
2936 SUBROUTINE contract_so2sgf(int_sgf, int_so, basis, sphi_so) argument
2938 REAL(dp), DIMENSION(:, :) :: int_sgf, int_so local
2965 … CALL ab_contract(int_sgf(sgfi:sgfi + nsgf_set(iset) - 1, sgfj:sgfj + nsgf_set(jset) - 1), &
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