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