Searched refs:ccdens (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_scf_post_gpw.F | 1780 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: aedens, ccdens, ppdens local
1925 ccdens(:, 1, ikind) = aedens(:, 1, ikind)
1926 ccdens(:, 2, ikind) = 0._dp
1927 CALL project_function_a(ccdens(1:ngto, 2, ikind), ccdens(1:ngto, 1, ikind), &
1929 ccdens(:, 2, ikind) = aedens(:, 2, ikind) - ccdens(:, 2, ikind)
1936 … WRITE (unit_nr, FMT="(2G24.12)") (ccdens(i, 1, ikind), ccdens(i, 2, ikind), i=1, ngto)
1970 ccdens(:, 1, ikind) = ppdens(:, 1, ikind)
1971 ccdens(:, 2, ikind) = 0._dp
1977 … CALL project_function_b(ccdens(:, 2, ikind), ccdens(:, 1, ikind), bfun(:, iso), grid_atom, l)
1980 … WRITE (unit_nr, FMT="(2G24.12)") (ccdens(i, 1, ikind), ccdens(i, 2, ikind), i=1, ngto)
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_scf_post_gpw.F | 1836 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: aedens, ccdens, ppdens local
1981 ccdens(:, 1, ikind) = aedens(:, 1, ikind)
1982 ccdens(:, 2, ikind) = 0._dp
1983 CALL project_function_a(ccdens(1:ngto, 2, ikind), ccdens(1:ngto, 1, ikind), &
1985 ccdens(:, 2, ikind) = aedens(:, 2, ikind) - ccdens(:, 2, ikind)
1992 … WRITE (unit_nr, FMT="(2G24.12)") (ccdens(i, 1, ikind), ccdens(i, 2, ikind), i=1, ngto)
2026 ccdens(:, 1, ikind) = ppdens(:, 1, ikind)
2027 ccdens(:, 2, ikind) = 0._dp
2033 … CALL project_function_b(ccdens(:, 2, ikind), ccdens(:, 1, ikind), bfun(:, iso), grid_atom, l)
2036 … WRITE (unit_nr, FMT="(2G24.12)") (ccdens(i, 1, ikind), ccdens(i, 2, ikind), i=1, ngto)
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