| .. |
|
AOBasis.ml
|
Added tests for AOBasis
|
2018-07-05 00:39:44 +02:00 |
|
AOBasis.mli
|
Added tests for AOBasis
|
2018-07-05 00:39:44 +02:00 |
|
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
|
More functional
|
2018-03-22 00:29:14 +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 |
