https://github.com/adc-connect/adcc

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Revision Author Date Message Commit Date
cf2e088 Bump version: 0.9.1 → 0.9.2 29 April 2019, 10:51:48 UTC
07ea957 Extend installation instruction 29 April 2019, 10:49:16 UTC
d64c19a Merge branch 'components' of adcman/adcc into master 29 April 2019, 10:45:40 UTC
1a3e5d9 Sophisticated component banner 28 April 2019, 14:33:11 UTC
95881db Extend libadcc metadata 28 April 2019, 09:30:12 UTC
6814234 Bump version: 0.9.0 → 0.9.1 28 April 2019, 08:06:55 UTC
18aabe0 Merge branch 'adc_memory' of adcman/adcc into master 27 April 2019, 21:24:42 UTC
d226e77 Add TODO 27 April 2019, 21:11:14 UTC
d2a0fc5 Remove memory initialisations from small examples 27 April 2019, 21:10:30 UTC
ffdbab7 Amend example by more advanced memory options 27 April 2019, 20:55:10 UTC
f0dcd3d Remove StdAllocatorWarning 27 April 2019, 20:25:01 UTC
089cf58 Switch to std::allocator in tests 27 April 2019, 20:24:45 UTC
e4ca464 Adapt to new AdcMemory interface 27 April 2019, 20:24:32 UTC
3ee8247 Implement contraction batch size on python 27 April 2019, 14:50:37 UTC
6c013c8 Bump version: 0.8.0 → 0.9.0 26 April 2019, 15:35:29 UTC
e0d64df Merge branch 'adcc_guesses' of adcman/adcc into master 26 April 2019, 14:54:23 UTC
7666bff Amend README 26 April 2019, 14:34:34 UTC
6e6344d setup.py and error messages if adcman is not compiled in 26 April 2019, 11:05:57 UTC
3b2b9c2 Use direct element access 26 April 2019, 10:06:14 UTC
371ce86 Remove proximity docs 26 April 2019, 10:05:39 UTC
32141d9 Extend functionality test by iteration count 19 April 2019, 17:06:20 UTC
982ef3d Spin-flip tests 18 April 2019, 19:58:19 UTC
7d6fb82 SF dissociation example 18 April 2019, 17:15:17 UTC
bc0c8b6 Spin-flip user interface 18 April 2019, 17:15:17 UTC
7000d42 Scripts to generate HF testdata 18 April 2019, 17:15:17 UTC
f50920c Implement Spin-Flip via adcman solver 18 April 2019, 17:15:17 UTC
0efdd77 Remove tmp_run_prelim 17 April 2019, 19:52:33 UTC
22cad12 Bugfix: Wrong order of multiplication and division 17 April 2019, 19:51:44 UTC
35b2d01 Adapt tests to new run_adc interface 16 April 2019, 20:51:30 UTC
862eaa1 Update examples to new run_adc interface 16 April 2019, 20:51:16 UTC
6cfef4e Minor refactorings 16 April 2019, 20:51:16 UTC
44dcaf3 CachingPolicy now set from LazyMp in interface 16 April 2019, 20:51:16 UTC
1fdc747 Python-side implementation of tmp_build_reference_state 16 April 2019, 20:51:16 UTC
12b8254 Typo in comment 16 April 2019, 20:51:16 UTC
3b39126 Reference tests 16 April 2019, 20:51:16 UTC
9afef4a Add preliminary tests for guesses 16 April 2019, 20:51:16 UTC
218092a Allow guess spin_change to be a float 16 April 2019, 20:51:16 UTC
00a8c7b Switch to python-provided guesses in run_adc 08 April 2019, 21:00:46 UTC
2ac119c Python frontend to construct guesses 08 April 2019, 20:29:48 UTC
42b1213 Implement python-fronted for guesses routines 07 April 2019, 20:42:08 UTC
71fd4b0 Bump version: 0.7.1 → 0.8.0 05 April 2019, 19:18:31 UTC
a76b110 Merge branch 'update_libs' of adcman/adcc into master 05 April 2019, 19:11:38 UTC
f2b0164 Extend comment 04 April 2019, 19:26:55 UTC
988dd0b Filter out some DeprecationWarning 04 April 2019, 19:26:55 UTC
e14e926 Different printing in GatherStatisticsPolicy 04 April 2019, 19:26:55 UTC
4a4e0ad Allow to disable tmp_run_prelim copy_caches via os.environ 04 April 2019, 19:26:55 UTC
a3ea2bc Compute 5 states 04 April 2019, 19:26:55 UTC
d5132f4 Implement python-side of CachingPolicy 04 April 2019, 19:26:55 UTC
968cdf8 Extend python interface by new intermediates 04 April 2019, 19:26:55 UTC
bab99c1 Merge branch 'issue-10' of adcman/adcc into master 31 March 2019, 09:04:02 UTC
536b583 Add LD_LIBRARY_PATH contents to link paths 31 March 2019, 09:02:52 UTC
8e80567 More testdata download 22 March 2019, 21:03:46 UTC
c46b1a0 add valgrind option 16 March 2019, 23:15:32 UTC
33ce176 Bump version: 0.7.0 → 0.7.1 13 March 2019, 12:28:17 UTC
28b53e5 Merge branch 'dependency_check_setup' of adcman/adcc into master 13 March 2019, 12:27:05 UTC
871519b Fix output bug in example 12 March 2019, 13:38:46 UTC
f930d2c Check for required shared libraries on linux 12 March 2019, 13:13:58 UTC
02b2aca Extended pyscf adc2 example 10 March 2019, 22:11:15 UTC
ca44a19 Export more symbols in init 10 March 2019, 17:28:41 UTC
9abbdc2 Bump version: 0.6.3 → 0.7.0 07 March 2019, 21:35:33 UTC
f9d818b Merge branch 'adc_extra' of adcman/adcc into master 07 March 2019, 21:29:35 UTC
947fee5 Add verbose flag by default 07 March 2019, 20:58:01 UTC
8814dc6 Rearrange imports 07 March 2019, 20:58:01 UTC
d3d56be Proper construction of mock state for ADC(1) 07 March 2019, 20:58:01 UTC
01c7386 Modify test parameters 07 March 2019, 20:58:01 UTC
294e6fb Add ADC(1) water example 07 March 2019, 20:58:01 UTC
5c0f4ef Density formation tests for new ADC methods 07 March 2019, 20:58:01 UTC
160ceec Functionality tests for new ADC methods 07 March 2019, 20:58:01 UTC
cbe54b9 Extend LazyMp test 07 March 2019, 20:58:01 UTC
39fe002 Update reference data generation for ADC(0)/ADC(1) 07 March 2019, 20:58:01 UTC
3e7919b Add setter for T2 amplitudes 07 March 2019, 20:58:01 UTC
a9a89b8 Clearify comment 07 March 2019, 20:58:01 UTC
17e51e9 Modifications for ADC(0) and ADC(1) 07 March 2019, 20:57:54 UTC
2bb3cd4 Adapt imports and add stubs for new set of methods 07 March 2019, 13:08:43 UTC
45a8007 Update README.md 07 March 2019, 12:21:03 UTC
9e95b10 Clearify wording of documentation 04 March 2019, 14:35:07 UTC
6c51985 Remove unneccessary make_tuple calls. 28 February 2019, 12:16:22 UTC
5512f18 Bugfix ensuring c-style data alignment in input array 28 February 2019, 12:07:42 UTC
20c5226 Add compute_modified_transition_moments export 28 February 2019, 12:06:50 UTC
6e45ef4 Bump version: 0.6.2 → 0.6.3 27 February 2019, 18:01:08 UTC
6a671d1 Provide setup.py description 27 February 2019, 17:53:04 UTC
89bba5b Extend setup.py fixes for MacOS 27 February 2019, 17:52:49 UTC
357aa22 fixing flags for macOS in setup.py 27 February 2019, 13:55:37 UTC
e046984 Update setup.py 18 February 2019, 13:40:49 UTC
75c927f Bump version: 0.6.1 → 0.6.2 14 February 2019, 22:32:13 UTC
342ae03 Use adcc/lib symlink directly everywhere 14 February 2019, 22:32:08 UTC
62f511c Make AdcCore a class 14 February 2019, 22:00:25 UTC
fbfbe76 Bump version: 0.6.0 → 0.6.1 14 February 2019, 21:44:34 UTC
5690c0f Bumpversion setup 14 February 2019, 21:44:32 UTC
fa9a65b Update README 14 February 2019, 21:40:58 UTC
8825ddc Test for version 14 February 2019, 20:31:59 UTC
1f55e85 Pick exact library names and not version-extended 14 February 2019, 20:31:45 UTC
5016d64 Extend AUTHORS.md 14 February 2019, 20:03:11 UTC
c6e92b9 Julia example 14 February 2019, 17:16:49 UTC
6d4d3a1 Unit tests from setup.py 14 February 2019, 11:41:30 UTC
c061588 Bugfix HfData in example 14 February 2019, 06:24:00 UTC
ba21fa5 Correct paths 14 February 2019, 06:14:08 UTC
8730a5d Make symbolic link part of repo and more ignores 13 February 2019, 21:35:57 UTC
14e2412 Restructure manifest file 13 February 2019, 14:57:49 UTC
cadfcad Remove yaml utils 13 February 2019, 14:21:57 UTC
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