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52db618c2b
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Implemented read MOs from trexio
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2024-09-13 18:22:45 +02:00 |
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c0754499a3
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Added e_shift in ci
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2024-09-11 17:02:51 +02:00 |
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a8ed512c93
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FCI example
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2024-09-10 17:01:55 +02:00 |
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2090aca15e
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Pretty printer for vectors
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2024-09-06 15:55:04 +02:00 |
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51f216da90
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Added string read of basis
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2024-09-06 11:05:54 +02:00 |
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cf10825862
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Fixing CI
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2024-09-05 16:08:45 +02:00 |
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01cb05e5cd
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Mo.Basis.pp has the wrong type for a printing function.
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2024-09-05 14:53:10 +02:00 |
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209cf324ee
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Update toplevel
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2024-09-05 14:48:58 +02:00 |
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5f47e96962
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Added CI
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2024-07-30 12:55:42 +02:00 |
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a9c5fd16a9
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Added determinant_space
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2024-06-24 17:44:42 +02:00 |
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3694f8695c
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Added CI
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2024-06-24 14:28:30 +02:00 |
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5c0b356b6c
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Removed org-mode
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2024-06-20 15:38:37 +02:00 |
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7eba47e0a4
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Cleaned localization
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2024-02-28 11:17:20 +01:00 |
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50698ce0ff
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Remove org-mode in mp2
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2024-02-28 11:07:24 +01:00 |
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ac44492ffe
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Removed org-html-themes
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2024-02-28 11:03:41 +01:00 |
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7e6ff1e8e7
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Fix printers
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2024-02-28 10:57:22 +01:00 |
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feebc5a0e8
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Removing org-mode
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2024-02-28 10:48:09 +01:00 |
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d6ef25d55a
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Removing org-mode
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2024-01-26 11:24:56 +01:00 |
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744f2a0552
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Removing org-mode
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2024-01-17 14:24:28 +01:00 |
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e59d016ae7
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Removing org-mode
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2024-01-17 13:59:05 +01:00 |
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c4b022aeee
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Remove org-mode
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2024-01-17 10:30:24 +01:00 |
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d53c0e6ea3
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Added Landmark profiler
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2023-06-30 12:22:26 +02:00 |
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ca727440db
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Removing org-mode source
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2023-06-28 13:51:12 +02:00 |
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0f0bceb6c3
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GWH guess
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2023-06-26 15:37:05 +02:00 |
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d5a71707c8
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Improved parallel integrals
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2023-06-17 02:07:35 +02:00 |
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01ef77bd8c
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Improved parallel efficiency
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2023-06-17 01:06:39 +02:00 |
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39cdbba97e
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Fixed Lazy
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2023-06-17 00:32:39 +02:00 |
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3f0dbfc928
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Parallelized ERI with Domainslib
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2023-06-16 18:27:23 +02:00 |
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b4211b8d85
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Working on TREXIO basis
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2023-04-24 19:31:51 +02:00 |
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2e835550b7
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Added trexio write for nuclei
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2023-04-24 14:13:36 +02:00 |
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919a8cbdd5
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Changed streams to seq
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2023-04-24 13:05:01 +02:00 |
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3c77e8267d
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Fix leadz
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2023-04-20 10:55:32 +02:00 |
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ed374af81f
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--assume-depexts in README
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2023-02-24 17:16:39 +01:00 |
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9d3f1ef05a
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Modifs for M1
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2022-12-13 10:55:47 +01:00 |
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44e99fe252
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Fix for ocaml 4.14.0
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2022-12-12 18:16:17 +01:00 |
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9b5ca55bd8
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Fixed Tailcall
|
2022-11-07 14:59:11 +01:00 |
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dbbebea8d0
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Merge lpqsv26:~/tmpdir/QuAcK/qcaml-tools/qcaml into dev
|
2022-11-07 11:27:34 +01:00 |
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a692242b51
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Improved reading basis
|
2022-11-07 11:24:20 +01:00 |
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5b22c9fabd
|
Fix tailcall bug
|
2021-11-09 14:57:19 +01:00 |
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98ca250ed3
|
Summary
|
2021-10-19 16:57:22 +02:00 |
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83f562aadf
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Added opam package definition
|
2021-02-12 09:20:42 +01:00 |
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bdece8ea60
|
Moving all MOs is not optimal
|
2021-02-03 10:47:34 +01:00 |
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254e8b5dc8
|
Pretty printer for localization
|
2021-02-03 09:31:11 +01:00 |
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32c09e5d14
|
Fixed localization
|
2021-02-03 08:50:52 +01:00 |
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8e99b4a58c
|
Fixed localization
|
2021-02-01 16:35:58 +01:00 |
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0b6fe42e55
|
Localization
|
2021-01-30 19:07:59 +01:00 |
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8502befb65
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Update documentation
|
2021-01-28 00:34:26 +01:00 |
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d0f61750da
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Add Gaussian.Atomic_shell_pair
|
2021-01-20 23:55:34 +01:00 |
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d1a0145826
|
Atomic shell pair couple org
|
2021-01-07 09:21:06 +01:00 |
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934d3de77a
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Atomic shell in org
|
2021-01-06 09:03:26 +01:00 |
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