LCPQ
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QCaml
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QCaml/SCF
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Anthony Scemama 4f41af9e31 Four-idx transformation 2018-07-20 16:10:20 +02:00
..
Fock.ml Introduced difference of Fock matrices for SCF convergence 2018-07-04 19:23:19 +02:00
Guess.ml Added tests for AOBasis 2018-07-05 00:39:44 +02:00
Guess.mli Added tests for AOBasis 2018-07-05 00:39:44 +02:00
HartreeFock.ml Working on DIIS 2018-05-31 16:46:45 +02:00
HartreeFock_type.ml Four-idx transformation 2018-07-20 16:10:20 +02:00
HartreeFock_type.mli Four-idx transformation 2018-07-20 16:10:20 +02:00
RHF.ml Four-idx transformation 2018-07-20 16:10:20 +02:00