LCPQ/QCaml
10
1
Fork 0
mirror of https://gitlab.com/scemama/QCaml.git synced 2025-01-13 22:35:50 +01:00
Code Releases Activity
QCaml/Basis
History
Anthony Scemama 25b3c41c50 Documentation
2018-05-30 09:46:57 +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
Cleaning
2018-03-20 15:16:24 +01:00
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
Canonical orthogonalization OK in cart. TODO: spherical.
2018-05-28 19:58:40 +02:00
ERI.mli
Opam package
2018-03-28 01:50:19 +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
Introduced shell pair couples
2018-03-21 17:28:13 +01:00
NucInt.ml
Introduced shell pair couples
2018-03-21 17:28:13 +01:00
OneElectronRR.ml
Introduced shell pair couples
2018-03-21 17:28:13 +01:00
Orthonormalization.ml
Documentation
2018-05-30 09:46:57 +02:00
Orthonormalization.mli
Documentation
2018-05-30 09:46:57 +02:00
Overlap_primitives.ml
Hash table for zkey_array
2018-03-13 18:24:00 +01:00
Overlap.ml
Canonical orthogonalization OK in cart. TODO: spherical.
2018-05-28 19:58:40 +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
Cleaning
2018-03-21 22:48:02 +01:00