Searched refs:orbpop (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | population_analyses.F | 114 NULLIFY (orbpop)
120 NULLIFY (orbpop)
158 orbpop(:, :) = 0.0_dp
282 NULLIFY (orbpop)
320 orbpop(:, :) = 0.0_dp
372 orbpop(sgfb, ispin) = orbpop(sgfb, ispin) + ps
381 orbpop(sgfa, ispin) = orbpop(sgfa, ispin) + ps
415 DEALLOCATE (orbpop)
477 nspin = SIZE(orbpop, 2)
532 sumorbpop(3) = sumorbpop(3) + orbpop(iao, 1) - orbpop(iao, 2)
[all …]
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | population_analyses.F | 114 NULLIFY (orbpop)
120 NULLIFY (orbpop)
158 orbpop(:, :) = 0.0_dp
282 NULLIFY (orbpop)
320 orbpop(:, :) = 0.0_dp
372 orbpop(sgfb, ispin) = orbpop(sgfb, ispin) + ps
381 orbpop(sgfa, ispin) = orbpop(sgfa, ispin) + ps
415 DEALLOCATE (orbpop)
477 nspin = SIZE(orbpop, 2)
532 sumorbpop(3) = sumorbpop(3) + orbpop(iao, 1) - orbpop(iao, 2)
[all …]
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