LCPQ/quantum_package
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e15fbd2371
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2 Commits

Author SHA1 Message Date
Titou
e15fbd2371 Almost working 2017-06-02 14:56:34 +02:00
loos
f7da26ff09 add DIIS algorithm for Roothaan-Hall SCF procedure 2017-03-29 22:21:46 +02:00