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

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Revision Author Date Message Commit Date
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
bea4590 Setuptools-based installation 13 February 2019, 14:17:35 UTC
9eb7f65 Rename src -> extension 13 February 2019, 07:43:06 UTC
d83443f Better repository setup for setup.py installation 12 February 2019, 22:02:27 UTC
cf5640f Some ideas how to build adcc 12 February 2019, 07:31:12 UTC
7493523 Preliminary build system 11 February 2019, 20:36:08 UTC
683162a Some initial repository setup 10 February 2019, 21:16:51 UTC
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