LCPQ/quantum_package
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1,764 Commits 6 Branches 5 Tags 93 MiB
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5 Commits

Author SHA1 Message Date
Anthony Scemama
7ef1cf6e67 Put ao_overlap back into ao_basis 2016-10-02 23:04:20 +02:00
Anthony Scemama
0b769ccf32 EZFIO I/O for 1-e integrals 2016-09-28 20:27:59 +02:00
Anthony Scemama
88c47b1f73 Trap linear dependencies in basis set 2015-11-27 10:30:50 +01:00
Anthony Scemama
7f4634e49b Isolated SVD routine 2015-11-27 10:15:46 +01:00
Thomas Applencourt
90bec251cb Rename module AOs MOs into {}_Basis 2015-06-24 10:32:12 +02:00