LCPQ/quantum_package
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894 Commits 6 Branches 5 Tags 93 MiB
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4 Commits

Author SHA1 Message Date
Anthony Scemama
a094629601 Added Huckel guess and fixed compatibility with new EMSL 2015-03-20 11:34:24 +01:00
Anthony Scemama
2365aeb4da save energy in ezfio 2015-01-06 19:12:17 +01:00
Anthony Scemama
ea1a4523c1 Added ~mo_tot_num in MO_number.of_int 2014-10-30 12:25:20 +01:00
Anthony Scemama
cd418ee484 Added Bi-electronic integrals module 2014-04-17 23:50:51 +02:00