Searched refs:eigocc (Results 1 – 3 of 3) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_ks_methods.F | 1243 REAL(KIND=dp), DIMENSION(:), POINTER :: eigocc local
1254 ALLOCATE (eigocc(mo_set%homo))
1257 eigocc(imo) = mo_set%eigenvalues(imo)*mo_set%occupation_numbers(imo)
1259 CALL cp_fm_column_scale(weighted_vectors, eigocc)
1260 DEALLOCATE (eigocc)
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_ks_methods.F | 1263 REAL(KIND=dp), DIMENSION(:), POINTER :: eigocc local
1274 ALLOCATE (eigocc(mo_set%homo))
1277 eigocc(imo) = mo_set%eigenvalues(imo)*mo_set%occupation_numbers(imo)
1279 CALL cp_fm_column_scale(weighted_vectors, eigocc)
1280 DEALLOCATE (eigocc)
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| /dports/science/qmcpack/qmcpack-3.11.0/nexus/lib/ |
| H A D | qmcpack_quantity_analyzers.py | 1742 eigocc = zeros((nsig,),dtype=mdata.dtype)
1746 eigocc[k] = dot(v.conj(),dot(nm,v))
1768 eigocc = eigocc,
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