LCPQ/quantum_package
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4 Commits

Author SHA1 Message Date
Anthony Scemama
6d05c72143 Added CAS-SCF module 2015-11-30 19:36:18 +01:00
Anthony Scemama
61bcd8c103 Eigenvalues are now printed with the correct sign 2015-11-26 15:00:02 +01:00
Michel Caffarel
6cad30269f Guess based on the overlap matrix of AOs to remove linear dependencies 2015-11-25 18:04:05 +01:00
Thomas Applencourt
90bec251cb Rename module AOs MOs into {}_Basis 2015-06-24 10:32:12 +02:00