|
|
ac44492ffe
|
Removed org-html-themes
|
2024-02-28 11:03:41 +01:00 |
|
|
|
7e6ff1e8e7
|
Fix printers
|
2024-02-28 10:57:22 +01:00 |
|
|
|
feebc5a0e8
|
Removing org-mode
|
2024-02-28 10:48:09 +01:00 |
|
|
|
d6ef25d55a
|
Removing org-mode
|
2024-01-26 11:24:56 +01:00 |
|
|
|
744f2a0552
|
Removing org-mode
|
2024-01-17 14:24:28 +01:00 |
|
|
|
e59d016ae7
|
Removing org-mode
|
2024-01-17 13:59:05 +01:00 |
|
|
|
c4b022aeee
|
Remove org-mode
|
2024-01-17 10:30:24 +01:00 |
|
|
|
d53c0e6ea3
|
Added Landmark profiler
|
2023-06-30 12:22:26 +02:00 |
|
|
|
ca727440db
|
Removing org-mode source
|
2023-06-28 13:51:12 +02:00 |
|
|
|
0f0bceb6c3
|
GWH guess
|
2023-06-26 15:37:05 +02:00 |
|
|
|
d5a71707c8
|
Improved parallel integrals
|
2023-06-17 02:07:35 +02:00 |
|
|
|
01ef77bd8c
|
Improved parallel efficiency
|
2023-06-17 01:06:39 +02:00 |
|
|
|
39cdbba97e
|
Fixed Lazy
|
2023-06-17 00:32:39 +02:00 |
|
|
|
3f0dbfc928
|
Parallelized ERI with Domainslib
|
2023-06-16 18:27:23 +02:00 |
|
|
|
b4211b8d85
|
Working on TREXIO basis
|
2023-04-24 19:31:51 +02:00 |
|
|
|
2e835550b7
|
Added trexio write for nuclei
|
2023-04-24 14:13:36 +02:00 |
|
|
|
919a8cbdd5
|
Changed streams to seq
|
2023-04-24 13:05:01 +02:00 |
|
|
|
3c77e8267d
|
Fix leadz
|
2023-04-20 10:55:32 +02:00 |
|
|
|
ed374af81f
|
--assume-depexts in README
|
2023-02-24 17:16:39 +01:00 |
|
|
|
9d3f1ef05a
|
Modifs for M1
|
2022-12-13 10:55:47 +01:00 |
|
|
|
44e99fe252
|
Fix for ocaml 4.14.0
|
2022-12-12 18:16:17 +01:00 |
|
|
|
9b5ca55bd8
|
Fixed Tailcall
|
2022-11-07 14:59:11 +01:00 |
|
|
|
dbbebea8d0
|
Merge lpqsv26:~/tmpdir/QuAcK/qcaml-tools/qcaml into dev
|
2022-11-07 11:27:34 +01:00 |
|
|
|
a692242b51
|
Improved reading basis
|
2022-11-07 11:24:20 +01:00 |
|
|
|
5b22c9fabd
|
Fix tailcall bug
|
2021-11-09 14:57:19 +01:00 |
|
|
|
98ca250ed3
|
Summary
|
2021-10-19 16:57:22 +02:00 |
|
|
|
83f562aadf
|
Added opam package definition
|
2021-02-12 09:20:42 +01:00 |
|
|
|
bdece8ea60
|
Moving all MOs is not optimal
|
2021-02-03 10:47:34 +01:00 |
|
|
|
254e8b5dc8
|
Pretty printer for localization
|
2021-02-03 09:31:11 +01:00 |
|
|
|
32c09e5d14
|
Fixed localization
|
2021-02-03 08:50:52 +01:00 |
|
|
|
8e99b4a58c
|
Fixed localization
|
2021-02-01 16:35:58 +01:00 |
|
|
|
0b6fe42e55
|
Localization
|
2021-01-30 19:07:59 +01:00 |
|
|
|
8502befb65
|
Update documentation
|
2021-01-28 00:34:26 +01:00 |
|
|
|
d0f61750da
|
Add Gaussian.Atomic_shell_pair
|
2021-01-20 23:55:34 +01:00 |
|
|
|
d1a0145826
|
Atomic shell pair couple org
|
2021-01-07 09:21:06 +01:00 |
|
|
|
934d3de77a
|
Atomic shell in org
|
2021-01-06 09:03:26 +01:00 |
|
|
|
475635cf6c
|
Better doc
|
2021-01-04 23:52:36 +01:00 |
|
|
|
d2b4928352
|
Added gaussian basis
|
2021-01-04 23:38:02 +01:00 |
|
|
|
d28be0df9f
|
Added basis org
|
2021-01-04 09:19:35 +01:00 |
|
|
|
f55454899a
|
Added logo
|
2021-01-01 18:52:29 +01:00 |
|
|
|
5f3c514c79
|
Improved documentation
|
2021-01-01 18:35:37 +01:00 |
|
|
|
fccf76180e
|
Improved Makefile
|
2021-01-01 18:07:06 +01:00 |
|
|
|
2c02daf70c
|
Added HTML documentation
|
2021-01-01 17:06:41 +01:00 |
|
|
|
08bd5303d9
|
Added HTML documentation
|
2021-01-01 17:05:25 +01:00 |
|
|
|
73a5cf6ca2
|
MP2 OK
|
2021-01-01 16:39:33 +01:00 |
|
|
|
28e6fda242
|
Added frozen_core
|
2021-01-01 12:52:50 +01:00 |
|
|
|
92c23f042f
|
Added simulation
|
2021-01-01 11:52:08 +01:00 |
|
|
|
f45423a9ba
|
Added nuclei.org
|
2020-12-29 18:16:16 +01:00 |
|
|
|
a4582ffb67
|
Zmatrix example
|
2020-12-29 02:38:12 +01:00 |
|
|
|
81fdc05a5c
|
Added zmatrix
|
2020-12-29 02:29:43 +01:00 |
|
