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mirror of https://gitlab.com/scemama/QCaml.git synced 2024-12-23 04:43:32 +01:00
QCaml/gaussian/lib
2023-06-16 18:27:23 +02:00
..
atomic_shell_pair_couple.ml Atomic shell pair couple org 2021-01-07 09:21:06 +01:00
atomic_shell_pair_couple.mli Atomic shell pair couple org 2021-01-07 09:21:06 +01:00
atomic_shell_pair.ml Add Gaussian.Atomic_shell_pair 2021-01-20 23:55:34 +01:00
atomic_shell_pair.mli Add Gaussian.Atomic_shell_pair 2021-01-20 23:55:34 +01:00
atomic_shell.ml Atomic shell pair couple org 2021-01-07 09:21:06 +01:00
atomic_shell.mli Atomic shell pair couple org 2021-01-07 09:21:06 +01:00
basis.ml Parallelized ERI with Domainslib 2023-06-16 18:27:23 +02:00
basis.mli Working on TREXIO basis 2023-04-24 19:31:51 +02:00
contracted_shell_pair_couple.ml Renamed Gaussian_basis into Gaussian 2020-10-10 10:59:09 +02:00
contracted_shell_pair_couple.mli Renamed Gaussian_basis into Gaussian 2020-10-10 10:59:09 +02:00
contracted_shell_pair.ml Renamed Gaussian_basis into Gaussian 2020-10-10 10:59:09 +02:00
contracted_shell_pair.mli Renamed Gaussian_basis into Gaussian 2020-10-10 10:59:09 +02:00
contracted_shell.ml Renamed Gaussian_basis into Gaussian 2020-10-10 10:59:09 +02:00
contracted_shell.mli Renamed Gaussian_basis into Gaussian 2020-10-10 10:59:09 +02:00
dune Cleaned readme for auto-generation 2020-12-28 12:23:39 +01:00
general_basis.ml Changed streams to seq 2023-04-24 13:05:01 +02:00
general_basis.mli Improved reading basis 2022-11-07 11:24:20 +01:00
primitive_shell_pair_couple.ml Renamed Gaussian_basis into Gaussian 2020-10-10 10:59:09 +02:00
primitive_shell_pair_couple.mli Renamed Gaussian_basis into Gaussian 2020-10-10 10:59:09 +02:00
primitive_shell_pair.ml Renamed Gaussian_basis into Gaussian 2020-10-10 10:59:09 +02:00
primitive_shell_pair.mli Renamed Gaussian_basis into Gaussian 2020-10-10 10:59:09 +02:00
primitive_shell.ml Renamed Gaussian_basis into Gaussian 2020-10-10 10:59:09 +02:00
primitive_shell.mli Renamed Gaussian_basis into Gaussian 2020-10-10 10:59:09 +02:00