Maximum number of constraints in CDFT
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Forum Vet
2:56:10 PM PDT - Fri, Jul 27th 2012
Bug Fix
JT
Please edit line 454 of $NWCHEM_TOP/src/nwdft/scf_dft/dft_scf.F and change it from
if (.not.MA_alloc_Get(MT_DBL,nfock*nconstr,
to
if (.not.MA_alloc_Get(MT_DBL,max(nfock,nconstr)*nconstr,