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Code Releases Activity
QCaml/gaussian_integrals/lib
History
Anthony Scemama ff872e9479 Slower
2023-06-28 16:22:56 +02:00
..
dune
Parallelized ERI with Domainslib
2023-06-16 18:27:23 +02:00
electron_nucleus.ml
Provided example
2020-10-19 18:33:02 +02:00
electron_nucleus.mli
Renamed Gaussian_basis into Gaussian
2020-10-10 10:59:09 +02:00
eri_long_range.ml
Renamed Gaussian_basis into Gaussian
2020-10-10 10:59:09 +02:00
eri.ml
Renamed Gaussian_basis into Gaussian
2020-10-10 10:59:09 +02:00
f12_rr.ml
Renamed Gaussian_basis into Gaussian
2020-10-10 10:59:09 +02:00
f12.ml
Removed Qcaml_ prefixes
2020-10-09 09:47:57 +02:00
kinetic.ml
Provided example
2020-10-19 18:33:02 +02:00
kinetic.mli
Initial new repo
2020-09-26 12:02:53 +02:00
matrix_on_basis.mli
Provided example
2020-10-19 18:33:02 +02:00
multipole.ml
MP2 OK
2021-01-01 16:39:33 +01:00
multipole.mli
Provided example
2020-10-19 18:33:02 +02:00
one_electron_rr.ml
Renamed Gaussian_basis into Gaussian
2020-10-10 10:59:09 +02:00
orthonormalization.ml
Merge branch 'dev' of gitlab.com:scemama/QCaml into dev
2020-10-18 01:59:47 +02:00
orthonormalization.mli
Renamed Gaussian_basis into Gaussian
2020-10-10 10:59:09 +02:00
overlap_primitives.ml
Removed Qcaml_ prefixes
2020-10-09 09:47:57 +02:00
overlap.ml
Provided example
2020-10-19 18:33:02 +02:00
overlap.mli
Initial new repo
2020-09-26 12:02:53 +02:00
screened_eri.ml
Renamed Gaussian_basis into Gaussian
2020-10-10 10:59:09 +02:00
two_electron_integrals.ml
Improved parallel integrals
2023-06-17 02:07:35 +02:00
two_electron_integrals.mli
Renamed Gaussian_basis into Gaussian
2020-10-10 10:59:09 +02:00
two_electron_rr_vectorized.ml
Slower
2023-06-28 16:22:56 +02:00
two_electron_rr.ml
Renamed Gaussian_basis into Gaussian
2020-10-10 10:59:09 +02:00
zero_m_parameters.ml
Removed Qcaml_ prefixes
2020-10-09 09:47:57 +02:00