.. |
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
|
Parallelized ERI with Domainslib
|
2023-06-16 18:27:23 +02:00 |
two_electron_integrals.mli
|
Renamed Gaussian_basis into Gaussian
|
2020-10-10 10:59:09 +02:00 |
two_electron_rr_vectorized.ml
|
Merge branch 'dev' of gitlab.com:scemama/QCaml into dev
|
2020-10-18 01:59:47 +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 |