LCPQ/quantum_package
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1,253 Commits 6 Branches 5 Tags 93 MiB
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4 Commits

Author SHA1 Message Date
Anthony Scemama
e4b86d9e2b Fixed MP2 and MP2 wf 2016-01-02 21:45:28 +01:00
Anthony Scemama
dd78dd4324 Hartree-Fock with less MOs than AOs OK 2015-11-27 19:14:36 +01:00
Anthony Scemama
f04e6619a5 Memory allocation bug in Huckel guess corrected 2015-09-22 13:35:42 +02:00
Thomas Applencourt
6a91e63cf3 Move into plugins 2015-06-17 18:23:56 +02:00