71fd4b0 | Michael F. Herbst | 05 April 2019, 19:18:31 UTC | Bump version: 0.7.1 → 0.8.0 | 05 April 2019, 19:18:31 UTC |
a76b110 | Michael F. Herbst | 05 April 2019, 19:11:38 UTC | Merge branch 'update_libs' of adcman/adcc into master | 05 April 2019, 19:11:38 UTC |
f2b0164 | Michael F. Herbst | 04 April 2019, 19:14:00 UTC | Extend comment | 04 April 2019, 19:26:55 UTC |
988dd0b | Michael F. Herbst | 03 April 2019, 20:10:04 UTC | Filter out some DeprecationWarning | 04 April 2019, 19:26:55 UTC |
e14e926 | Michael F. Herbst | 03 April 2019, 20:09:02 UTC | Different printing in GatherStatisticsPolicy | 04 April 2019, 19:26:55 UTC |
4a4e0ad | Michael F. Herbst | 03 April 2019, 20:08:43 UTC | Allow to disable tmp_run_prelim copy_caches via os.environ | 04 April 2019, 19:26:55 UTC |
a3ea2bc | Michael F. Herbst | 02 April 2019, 13:38:33 UTC | Compute 5 states | 04 April 2019, 19:26:55 UTC |
d5132f4 | Michael F. Herbst | 31 March 2019, 17:59:25 UTC | Implement python-side of CachingPolicy | 04 April 2019, 19:26:55 UTC |
968cdf8 | Michael F. Herbst | 17 March 2019, 17:16:25 UTC | Extend python interface by new intermediates | 04 April 2019, 19:26:55 UTC |
bab99c1 | Michael F. Herbst | 31 March 2019, 09:04:02 UTC | Merge branch 'issue-10' of adcman/adcc into master | 31 March 2019, 09:04:02 UTC |
536b583 | Michael F. Herbst | 31 March 2019, 09:02:52 UTC | Add LD_LIBRARY_PATH contents to link paths | 31 March 2019, 09:02:52 UTC |
8e80567 | Michael F. Herbst | 22 March 2019, 21:03:46 UTC | More testdata download | 22 March 2019, 21:03:46 UTC |
c46b1a0 | Michael F. Herbst | 16 March 2019, 23:15:32 UTC | add valgrind option | 16 March 2019, 23:15:32 UTC |
33ce176 | Michael F. Herbst | 13 March 2019, 12:28:17 UTC | Bump version: 0.7.0 → 0.7.1 | 13 March 2019, 12:28:17 UTC |
28b53e5 | Michael F. Herbst | 13 March 2019, 12:27:05 UTC | Merge branch 'dependency_check_setup' of adcman/adcc into master | 13 March 2019, 12:27:05 UTC |
871519b | Michael F. Herbst | 12 March 2019, 13:38:46 UTC | Fix output bug in example | 12 March 2019, 13:38:46 UTC |
f930d2c | Michael F. Herbst | 12 March 2019, 12:52:14 UTC | Check for required shared libraries on linux | 12 March 2019, 13:13:58 UTC |
02b2aca | Michael F. Herbst | 10 March 2019, 22:11:15 UTC | Extended pyscf adc2 example | 10 March 2019, 22:11:15 UTC |
ca44a19 | Michael F. Herbst | 10 March 2019, 17:28:41 UTC | Export more symbols in init | 10 March 2019, 17:28:41 UTC |
9abbdc2 | Michael F. Herbst | 07 March 2019, 21:35:33 UTC | Bump version: 0.6.3 → 0.7.0 | 07 March 2019, 21:35:33 UTC |
f9d818b | maxscheurer | 07 March 2019, 21:29:35 UTC | Merge branch 'adc_extra' of adcman/adcc into master | 07 March 2019, 21:29:35 UTC |
947fee5 | Michael F. Herbst | 07 March 2019, 20:49:17 UTC | Add verbose flag by default | 07 March 2019, 20:58:01 UTC |
8814dc6 | Michael F. Herbst | 07 March 2019, 20:48:34 UTC | Rearrange imports | 07 March 2019, 20:58:01 UTC |
d3d56be | Michael F. Herbst | 07 March 2019, 20:48:04 UTC | Proper construction of mock state for ADC(1) | 07 March 2019, 20:58:01 UTC |
01c7386 | Michael F. Herbst | 07 March 2019, 20:47:37 UTC | Modify test parameters | 07 March 2019, 20:58:01 UTC |
294e6fb | Michael F. Herbst | 07 March 2019, 20:41:25 UTC | Add ADC(1) water example | 07 March 2019, 20:58:01 UTC |
5c0f4ef | Michael F. Herbst | 07 March 2019, 15:31:17 UTC | Density formation tests for new ADC methods | 07 March 2019, 20:58:01 UTC |
160ceec | Michael F. Herbst | 07 March 2019, 14:17:38 UTC | Functionality tests for new ADC methods | 07 March 2019, 20:58:01 UTC |
cbe54b9 | Michael F. Herbst | 06 March 2019, 22:06:58 UTC | Extend LazyMp test | 07 March 2019, 20:58:01 UTC |
39fe002 | Michael F. Herbst | 06 March 2019, 22:06:26 UTC | Update reference data generation for ADC(0)/ADC(1) | 07 March 2019, 20:58:01 UTC |
3e7919b | Michael F. Herbst | 05 March 2019, 19:38:56 UTC | Add setter for T2 amplitudes | 07 March 2019, 20:58:01 UTC |
a9a89b8 | Michael F. Herbst | 05 March 2019, 19:38:28 UTC | Clearify comment | 07 March 2019, 20:58:01 UTC |
17e51e9 | Michael F. Herbst | 04 March 2019, 23:05:00 UTC | Modifications for ADC(0) and ADC(1) | 07 March 2019, 20:57:54 UTC |
2bb3cd4 | Michael F. Herbst | 04 March 2019, 23:03:15 UTC | Adapt imports and add stubs for new set of methods | 07 March 2019, 13:08:43 UTC |
45a8007 | Michael F. Herbst | 07 March 2019, 12:21:03 UTC | Update README.md | 07 March 2019, 12:21:03 UTC |
9e95b10 | Michael F. Herbst | 04 March 2019, 14:35:04 UTC | Clearify wording of documentation | 04 March 2019, 14:35:07 UTC |
6c51985 | Michael F. Herbst | 28 February 2019, 12:16:22 UTC | Remove unneccessary make_tuple calls. | 28 February 2019, 12:16:22 UTC |
5512f18 | Michael F. Herbst | 28 February 2019, 12:07:42 UTC | Bugfix ensuring c-style data alignment in input array | 28 February 2019, 12:07:42 UTC |
20c5226 | Michael F. Herbst | 28 February 2019, 11:58:26 UTC | Add compute_modified_transition_moments export | 28 February 2019, 12:06:50 UTC |
6e45ef4 | Michael F. Herbst | 27 February 2019, 18:01:08 UTC | Bump version: 0.6.2 → 0.6.3 | 27 February 2019, 18:01:08 UTC |
6a671d1 | Michael F. Herbst | 27 February 2019, 17:53:04 UTC | Provide setup.py description | 27 February 2019, 17:53:04 UTC |
89bba5b | Michael F. Herbst | 27 February 2019, 17:52:49 UTC | Extend setup.py fixes for MacOS | 27 February 2019, 17:52:49 UTC |
357aa22 | Maximilian Scheurer | 27 February 2019, 13:55:37 UTC | fixing flags for macOS in setup.py | 27 February 2019, 13:55:37 UTC |
e046984 | Michael F. Herbst | 18 February 2019, 13:40:49 UTC | Update setup.py | 18 February 2019, 13:40:49 UTC |
75c927f | Michael F. Herbst | 14 February 2019, 22:32:13 UTC | Bump version: 0.6.1 → 0.6.2 | 14 February 2019, 22:32:13 UTC |
342ae03 | Michael F. Herbst | 14 February 2019, 22:32:08 UTC | Use adcc/lib symlink directly everywhere | 14 February 2019, 22:32:08 UTC |
62f511c | Michael F. Herbst | 14 February 2019, 22:00:25 UTC | Make AdcCore a class | 14 February 2019, 22:00:25 UTC |
fbfbe76 | Michael F. Herbst | 14 February 2019, 21:44:34 UTC | Bump version: 0.6.0 → 0.6.1 | 14 February 2019, 21:44:34 UTC |
5690c0f | Michael F. Herbst | 14 February 2019, 21:44:32 UTC | Bumpversion setup | 14 February 2019, 21:44:32 UTC |
fa9a65b | Michael F. Herbst | 14 February 2019, 21:40:58 UTC | Update README | 14 February 2019, 21:40:58 UTC |
8825ddc | Michael F. Herbst | 14 February 2019, 20:31:59 UTC | Test for version | 14 February 2019, 20:31:59 UTC |
1f55e85 | Michael F. Herbst | 14 February 2019, 20:31:45 UTC | Pick exact library names and not version-extended | 14 February 2019, 20:31:45 UTC |
5016d64 | Michael F. Herbst | 14 February 2019, 20:03:11 UTC | Extend AUTHORS.md | 14 February 2019, 20:03:11 UTC |
c6e92b9 | Michael F. Herbst | 14 February 2019, 17:16:49 UTC | Julia example | 14 February 2019, 17:16:49 UTC |
6d4d3a1 | Michael F. Herbst | 14 February 2019, 08:13:49 UTC | Unit tests from setup.py | 14 February 2019, 11:41:30 UTC |
c061588 | Michael F. Herbst | 14 February 2019, 06:24:00 UTC | Bugfix HfData in example | 14 February 2019, 06:24:00 UTC |
ba21fa5 | Michael F. Herbst | 14 February 2019, 06:14:08 UTC | Correct paths | 14 February 2019, 06:14:08 UTC |
8730a5d | Michael F. Herbst | 13 February 2019, 21:35:57 UTC | Make symbolic link part of repo and more ignores | 13 February 2019, 21:35:57 UTC |
14e2412 | Michael F. Herbst | 13 February 2019, 14:57:49 UTC | Restructure manifest file | 13 February 2019, 14:57:49 UTC |
cadfcad | Michael F. Herbst | 13 February 2019, 14:21:57 UTC | Remove yaml utils | 13 February 2019, 14:21:57 UTC |
bea4590 | Michael F. Herbst | 13 February 2019, 12:59:34 UTC | Setuptools-based installation | 13 February 2019, 14:17:35 UTC |
9eb7f65 | Michael F. Herbst | 13 February 2019, 07:43:06 UTC | Rename src -> extension | 13 February 2019, 07:43:06 UTC |
d83443f | Michael F. Herbst | 12 February 2019, 22:00:54 UTC | Better repository setup for setup.py installation | 12 February 2019, 22:02:27 UTC |
cf5640f | Michael F. Herbst | 12 February 2019, 07:31:12 UTC | Some ideas how to build adcc | 12 February 2019, 07:31:12 UTC |
7493523 | Michael F. Herbst | 11 February 2019, 20:35:37 UTC | Preliminary build system | 11 February 2019, 20:36:08 UTC |
683162a | Michael F. Herbst | 10 February 2019, 21:16:51 UTC | Some initial repository setup | 10 February 2019, 21:16:51 UTC |