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Code Releases Activity
QCaml/Basis
History
Anthony Scemama 47691d0a0a Determinant space OK
2019-02-20 19:43:16 +01:00
..
AOBasis.ml
Cleaned AO Basis
2019-02-20 18:24:44 +01:00
AOBasis.mli
Cleaned AO Basis
2019-02-20 18:24:44 +01:00
AtomicShell.ml
Introduced shell pair couples
2018-03-21 17:28:13 +01:00
AtomicShell.mli
Introduced shell pair couples
2018-03-21 17:28:13 +01:00
AtomicShellPair.ml
More functional
2018-03-22 00:29:14 +01:00
AtomicShellPair.mli
Introduced atomic_shell_pair_couples
2018-03-21 18:54:56 +01:00
AtomicShellPairCouple.ml
More functional
2018-03-22 00:29:14 +01:00
AtomicShellPairCouple.mli
fixed
2018-03-21 19:43:49 +01:00
Basis.ml
Introduced shell pair couples
2018-03-21 17:28:13 +01:00
Basis.mli
Added tests for AOBasis
2018-07-05 00:39:44 +02:00
ContractedShell.ml
More functional
2018-03-22 00:29:14 +01:00
ContractedShell.mli
More functional
2018-03-22 00:29:14 +01:00
ContractedShellPair.ml
Corrected ordering
2018-03-22 00:51:34 +01:00
ContractedShellPair.mli
More functional
2018-03-22 00:29:14 +01:00
ContractedShellPairCouple.ml
More functional
2018-03-22 00:29:14 +01:00
ContractedShellPairCouple.mli
Introduced shell pair couples
2018-03-21 17:28:13 +01:00
ERI_parallel.ml
Preparing
2018-03-21 18:59:00 +01:00
ERI.ml
Merge olympe.calmip.univ-toulouse.fr:/users/p18005/scemama/tmpdir/QCaml
2019-01-15 15:18:22 +01:00
ERI.mli
Nuclei for T2
2018-06-29 16:04:40 +02:00
GamessReader.ml
Hash table for zkey_array
2018-03-13 18:24:00 +01:00
GeneralBasis.ml
Removed gamess parser
2018-03-08 23:29:08 +01:00
GeneralBasis.mli
Removed gamess parser
2018-03-08 23:29:08 +01:00
KinInt.ml
Four-idx transformation
2018-07-20 16:10:20 +02:00
KinInt.mli
Added MatrixOnBasis
2018-06-13 19:03:42 +02:00
MatrixOnBasis.mli
Four-idx transformation
2018-07-20 16:10:20 +02:00
NucInt.ml
Four-idx transformation
2018-07-20 16:10:20 +02:00
NucInt.mli
Added MatrixOnBasis
2018-06-13 19:03:42 +02:00
OneElectronRR.ml
Introduced shell pair couples
2018-03-21 17:28:13 +01:00
Orthonormalization.ml
Added MatrixOnBasis
2018-06-13 19:03:42 +02:00
Orthonormalization.mli
Added MatrixOnBasis
2018-06-13 19:03:42 +02:00
Overlap_primitives.ml
Hash table for zkey_array
2018-03-13 18:24:00 +01:00
Overlap.ml
Four-idx transformation
2018-07-20 16:10:20 +02:00
Overlap.mli
Added MatrixOnBasis
2018-06-13 19:03:42 +02:00
PrimitiveShell.ml
More functional
2018-03-22 00:29:14 +01:00
PrimitiveShell.mli
More functional
2018-03-22 00:29:14 +01:00
PrimitiveShellPair.ml
Determinant space OK
2019-02-20 19:43:16 +01:00
PrimitiveShellPair.mli
More functional
2018-03-22 00:29:14 +01:00
PrimitiveShellPairCouple.ml
Added ERI.mli
2018-03-26 16:47:08 +02:00
PrimitiveShellPairCouple.mli
Introduced shell pair couples
2018-03-21 17:28:13 +01:00
TwoElectronRR.ml
Introduced ShellPairCouples in ERI
2018-03-27 19:26:32 +02:00
TwoElectronRRVectorized.ml
Fixed overflow in Boys function
2018-06-27 13:13:59 +02:00