cf2e088 | Michael F. Herbst | 29 April 2019, 10:51:48 UTC | Bump version: 0.9.1 → 0.9.2 | 29 April 2019, 10:51:48 UTC |
07ea957 | Michael F. Herbst | 29 April 2019, 10:49:16 UTC | Extend installation instruction | 29 April 2019, 10:49:16 UTC |
d64c19a | Michael F. Herbst | 29 April 2019, 10:45:40 UTC | Merge branch 'components' of adcman/adcc into master | 29 April 2019, 10:45:40 UTC |
1a3e5d9 | Michael F. Herbst | 28 April 2019, 14:30:26 UTC | Sophisticated component banner | 28 April 2019, 14:33:11 UTC |
95881db | Michael F. Herbst | 28 April 2019, 09:30:12 UTC | Extend libadcc metadata | 28 April 2019, 09:30:12 UTC |
6814234 | Michael F. Herbst | 28 April 2019, 08:06:55 UTC | Bump version: 0.9.0 → 0.9.1 | 28 April 2019, 08:06:55 UTC |
18aabe0 | maxscheurer | 27 April 2019, 21:24:42 UTC | Merge branch 'adc_memory' of adcman/adcc into master | 27 April 2019, 21:24:42 UTC |
d226e77 | Michael F. Herbst | 27 April 2019, 21:11:14 UTC | Add TODO | 27 April 2019, 21:11:14 UTC |
d2a0fc5 | Michael F. Herbst | 27 April 2019, 21:10:30 UTC | Remove memory initialisations from small examples | 27 April 2019, 21:10:30 UTC |
ffdbab7 | Michael F. Herbst | 27 April 2019, 20:55:10 UTC | Amend example by more advanced memory options | 27 April 2019, 20:55:10 UTC |
f0dcd3d | Michael F. Herbst | 27 April 2019, 20:25:01 UTC | Remove StdAllocatorWarning | 27 April 2019, 20:25:01 UTC |
089cf58 | Michael F. Herbst | 27 April 2019, 20:24:45 UTC | Switch to std::allocator in tests | 27 April 2019, 20:24:45 UTC |
e4ca464 | Michael F. Herbst | 27 April 2019, 20:24:32 UTC | Adapt to new AdcMemory interface | 27 April 2019, 20:24:32 UTC |
3ee8247 | Michael F. Herbst | 27 April 2019, 14:50:37 UTC | Implement contraction batch size on python | 27 April 2019, 14:50:37 UTC |
6c013c8 | Michael F. Herbst | 26 April 2019, 15:35:29 UTC | Bump version: 0.8.0 → 0.9.0 | 26 April 2019, 15:35:29 UTC |
e0d64df | maxscheurer | 26 April 2019, 14:54:23 UTC | Merge branch 'adcc_guesses' of adcman/adcc into master | 26 April 2019, 14:54:23 UTC |
7666bff | Michael F. Herbst | 26 April 2019, 14:34:34 UTC | Amend README | 26 April 2019, 14:34:34 UTC |
6e6344d | Michael F. Herbst | 26 April 2019, 11:05:57 UTC | setup.py and error messages if adcman is not compiled in | 26 April 2019, 11:05:57 UTC |
3b2b9c2 | Michael F. Herbst | 26 April 2019, 10:06:14 UTC | Use direct element access | 26 April 2019, 10:06:14 UTC |
371ce86 | Michael F. Herbst | 26 April 2019, 10:05:28 UTC | Remove proximity docs | 26 April 2019, 10:05:39 UTC |
32141d9 | Michael F. Herbst | 19 April 2019, 17:06:20 UTC | Extend functionality test by iteration count | 19 April 2019, 17:06:20 UTC |
982ef3d | Michael F. Herbst | 18 April 2019, 17:02:20 UTC | Spin-flip tests | 18 April 2019, 19:58:19 UTC |
7d6fb82 | Michael F. Herbst | 18 April 2019, 08:57:14 UTC | SF dissociation example | 18 April 2019, 17:15:17 UTC |
bc0c8b6 | Michael F. Herbst | 18 April 2019, 07:47:09 UTC | Spin-flip user interface | 18 April 2019, 17:15:17 UTC |
7000d42 | Michael F. Herbst | 17 April 2019, 21:16:10 UTC | Scripts to generate HF testdata | 18 April 2019, 17:15:17 UTC |
f50920c | Michael F. Herbst | 17 April 2019, 20:47:31 UTC | Implement Spin-Flip via adcman solver | 18 April 2019, 17:15:17 UTC |
0efdd77 | Michael F. Herbst | 17 April 2019, 19:52:33 UTC | Remove tmp_run_prelim | 17 April 2019, 19:52:33 UTC |
22cad12 | Michael F. Herbst | 17 April 2019, 19:51:44 UTC | Bugfix: Wrong order of multiplication and division | 17 April 2019, 19:51:44 UTC |
35b2d01 | Michael F. Herbst | 16 April 2019, 20:47:49 UTC | Adapt tests to new run_adc interface | 16 April 2019, 20:51:30 UTC |
862eaa1 | Michael F. Herbst | 14 April 2019, 14:14:57 UTC | Update examples to new run_adc interface | 16 April 2019, 20:51:16 UTC |
6cfef4e | Michael F. Herbst | 14 April 2019, 13:51:44 UTC | Minor refactorings | 16 April 2019, 20:51:16 UTC |
44dcaf3 | Michael F. Herbst | 16 April 2019, 18:28:42 UTC | CachingPolicy now set from LazyMp in interface | 16 April 2019, 20:51:16 UTC |
1fdc747 | Michael F. Herbst | 13 April 2019, 21:31:43 UTC | Python-side implementation of tmp_build_reference_state | 16 April 2019, 20:51:16 UTC |
12b8254 | Michael F. Herbst | 13 April 2019, 19:00:03 UTC | Typo in comment | 16 April 2019, 20:51:16 UTC |
3b39126 | Michael F. Herbst | 13 April 2019, 18:55:50 UTC | Reference tests | 16 April 2019, 20:51:16 UTC |
9afef4a | Michael F. Herbst | 13 April 2019, 16:10:50 UTC | Add preliminary tests for guesses | 16 April 2019, 20:51:16 UTC |
218092a | Michael F. Herbst | 13 April 2019, 18:59:45 UTC | Allow guess spin_change to be a float | 16 April 2019, 20:51:16 UTC |
00a8c7b | Michael F. Herbst | 08 April 2019, 20:30:28 UTC | Switch to python-provided guesses in run_adc | 08 April 2019, 21:00:46 UTC |
2ac119c | Michael F. Herbst | 08 April 2019, 20:29:48 UTC | Python frontend to construct guesses | 08 April 2019, 20:29:48 UTC |
42b1213 | Michael F. Herbst | 07 April 2019, 20:42:08 UTC | Implement python-fronted for guesses routines | 07 April 2019, 20:42:08 UTC |
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 |