370d598 | Janus Juul Eriksen | 13 February 2020, 10:17:43 UTC | polish | 13 February 2020, 10:17:43 UTC |
53d16a7 | Janus Juul Eriksen | 13 February 2020, 10:02:20 UTC | fixes for non-vac refs | 13 February 2020, 10:02:20 UTC |
581fbd0 | Janus Juul Eriksen | 12 February 2020, 16:04:55 UTC | Merge branch 'dev' into new_screen | 12 February 2020, 16:04:55 UTC |
a3277a1 | Janus Juul Eriksen | 12 February 2020, 16:04:38 UTC | Merge branch 'master' into dev | 12 February 2020, 16:04:38 UTC |
ddd9e43 | Janus Juul Eriksen | 12 February 2020, 16:04:14 UTC | Merge branch 'dev' | 12 February 2020, 16:04:14 UTC |
7739847 | Janus Juul Eriksen | 12 February 2020, 16:03:49 UTC | Merge branch 'new_screen' into dev | 12 February 2020, 16:03:49 UTC |
1742a91 | Janus Juul Eriksen | 12 February 2020, 16:01:09 UTC | doctests in mbe.py | 12 February 2020, 16:01:09 UTC |
b5b8e4e | Janus Juul Eriksen | 12 February 2020, 15:20:59 UTC | doctests in tools.py | 12 February 2020, 15:20:59 UTC |
59ac525 | Janus Juul Eriksen | 12 February 2020, 14:19:36 UTC | fix doctests in kernel.py | 12 February 2020, 14:19:36 UTC |
72c89a6 | Janus Juul Eriksen | 11 February 2020, 15:25:05 UTC | change handling of dipole integrals | 11 February 2020, 15:25:05 UTC |
eba8b2b | Janus Juul Eriksen | 07 February 2020, 15:57:42 UTC | one more fix | 07 February 2020, 15:57:42 UTC |
1794f6f | Janus Juul Eriksen | 07 February 2020, 15:55:41 UTC | stupid bugfix | 07 February 2020, 15:55:41 UTC |
f3e451c | Janus Juul Eriksen | 07 February 2020, 15:50:05 UTC | README update | 07 February 2020, 15:50:05 UTC |
935bf76 | Janus Juul Eriksen | 30 January 2020, 09:06:07 UTC | rst works for pi-pruning | 30 January 2020, 09:06:07 UTC |
30d68f8 | Janus Juul Eriksen (galileo) | 30 January 2020, 08:02:15 UTC | fix | 30 January 2020, 08:02:15 UTC |
ce06029 | Janus Juul Eriksen | 29 January 2020, 09:52:01 UTC | rst work | 29 January 2020, 09:52:01 UTC |
a414c1d | Janus Juul Eriksen | 29 January 2020, 09:08:04 UTC | change to tup_start | 29 January 2020, 09:08:04 UTC |
97a44cc | Janus Juul Eriksen | 29 January 2020, 08:56:32 UTC | change PI_SYMM_C2V | 29 January 2020, 08:56:32 UTC |
e3a990b | Janus Juul Eriksen | 29 January 2020, 08:55:55 UTC | rst_read fix | 29 January 2020, 08:55:55 UTC |
31ff60a | Janus Juul Eriksen | 27 January 2020, 13:41:54 UTC | dipole fix | 27 January 2020, 13:41:54 UTC |
ef19edf | Janus Juul Eriksen | 27 January 2020, 10:59:18 UTC | fix for screening of dipoles | 27 January 2020, 10:59:18 UTC |
bb815ed | Janus Juul Eriksen | 27 January 2020, 10:15:17 UTC | inserted another local barrier | 27 January 2020, 10:15:17 UTC |
85090d1 | Janus Juul Eriksen | 26 January 2020, 14:03:35 UTC | slight change to results | 26 January 2020, 14:03:35 UTC |
e850629 | Janus Juul Eriksen | 26 January 2020, 13:06:05 UTC | sigh, stupid fix to last commit | 26 January 2020, 13:06:05 UTC |
2fcae53 | Janus Juul Eriksen | 26 January 2020, 09:23:14 UTC | more restart fixes | 26 January 2020, 09:23:14 UTC |
c1eb28a | Janus Juul Eriksen | 25 January 2020, 20:48:42 UTC | restart fix | 25 January 2020, 20:48:42 UTC |
8370d3e | Janus Juul Eriksen | 24 January 2020, 12:32:10 UTC | another minor update | 24 January 2020, 12:32:10 UTC |
b775484 | Janus Juul Eriksen | 24 January 2020, 12:31:39 UTC | minor update to last commit | 24 January 2020, 12:31:39 UTC |
30e80f0 | Janus Juul Eriksen | 24 January 2020, 11:36:12 UTC | update pymbe.results | 24 January 2020, 11:36:12 UTC |
35aa987 | Janus Juul Eriksen | 24 January 2020, 09:23:58 UTC | use np.nan for pi-pruning instead | 24 January 2020, 09:23:58 UTC |
5fb8209 | Janus Juul Eriksen | 23 January 2020, 16:04:22 UTC | implemented pi-pruning | 23 January 2020, 16:04:22 UTC |
3ba1024 | Janus Juul Eriksen | 23 January 2020, 15:49:13 UTC | bugfix in restricted_idx() | 23 January 2020, 15:49:13 UTC |
e6bdc51 | Janus Juul Eriksen | 23 January 2020, 12:09:43 UTC | use tools.fsum() in _sum() | 23 January 2020, 12:09:43 UTC |
e9066c1 | Janus Juul Eriksen | 22 January 2020, 16:44:38 UTC | early break in screening | 22 January 2020, 16:44:38 UTC |
2fb66e6 | Janus Juul Eriksen | 22 January 2020, 14:36:41 UTC | restart fix | 22 January 2020, 14:36:41 UTC |
2f3f2b0 | Janus Juul Eriksen | 22 January 2020, 13:21:34 UTC | restart fix | 22 January 2020, 13:21:34 UTC |
12dd00c | Janus Juul Eriksen | 22 January 2020, 12:12:46 UTC | import scipy.special as sc | 22 January 2020, 12:12:46 UTC |
80f6d69 | Janus Juul Eriksen | 22 January 2020, 09:25:45 UTC | minor fix | 22 January 2020, 09:25:45 UTC |
a6da326 | Janus Juul Eriksen | 21 January 2020, 13:48:24 UTC | no need for fromiter in restricted_idx | 21 January 2020, 13:48:24 UTC |
20ad193 | Janus Juul Eriksen | 20 January 2020, 20:25:54 UTC | bugfix for function _idx() in tools.py | 20 January 2020, 20:25:54 UTC |
6186be9 | Janus Juul Eriksen | 20 January 2020, 16:14:13 UTC | np.copy() of exp_spaces | 20 January 2020, 16:14:13 UTC |
35d84b4 | Janus Juul Eriksen | 20 January 2020, 15:06:56 UTC | remove numba | 20 January 2020, 15:06:56 UTC |
850e3be | Janus Juul Eriksen | 20 January 2020, 14:52:36 UTC | new restricted_idx algo | 20 January 2020, 14:52:36 UTC |
c5c517a | Janus Juul Eriksen | 20 January 2020, 13:43:35 UTC | fix restart | 20 January 2020, 13:43:35 UTC |
f4cf49c | Janus Juul Eriksen | 17 January 2020, 13:10:51 UTC | stupid fix to previous commit | 17 January 2020, 13:10:51 UTC |
dc0fdd8 | Janus Juul Eriksen | 17 January 2020, 13:03:16 UTC | do not screen at order k = 1 | 17 January 2020, 13:03:16 UTC |
cb16ecb | Janus Juul Eriksen | 17 January 2020, 11:39:00 UTC | use fromiter + fsum in _sum() | 17 January 2020, 11:39:00 UTC |
152037c | Janus Juul Eriksen | 16 January 2020, 22:49:10 UTC | small fix in results.py | 16 January 2020, 22:49:10 UTC |
accd93c | Janus Juul Eriksen | 16 January 2020, 22:38:43 UTC | simplifications to mbe code | 16 January 2020, 22:38:43 UTC |
9c87197 | Janus Juul Eriksen | 16 January 2020, 22:05:28 UTC | WIP: dipoles | 16 January 2020, 22:05:28 UTC |
17996ce | Janus Juul Eriksen | 16 January 2020, 16:22:01 UTC | fix for non-vac reference spaces | 16 January 2020, 16:22:01 UTC |
675272c | Janus Juul Eriksen | 16 January 2020, 16:03:14 UTC | allow for early break in _sum() | 16 January 2020, 16:03:14 UTC |
1ba7587 | Janus Juul Eriksen | 16 January 2020, 15:21:28 UTC | revert order of occ/virt in generators | 16 January 2020, 15:21:28 UTC |
b2d8c7a | Janus Juul Eriksen | 16 January 2020, 14:43:25 UTC | various bits and bobs | 16 January 2020, 14:43:25 UTC |
60a9211 | Janus Juul Eriksen (MogonII) | 16 January 2020, 11:21:44 UTC | Merge branch 'dev' into new_screen | 16 January 2020, 11:21:44 UTC |
b5f5b30 | Janus Juul Eriksen (MogonII) | 16 January 2020, 11:20:37 UTC | Merge branch 'master' into dev | 16 January 2020, 11:20:37 UTC |
84a13fa | Janus Juul Eriksen (MogonII) | 16 January 2020, 11:20:12 UTC | Merge branch 'dev' | 16 January 2020, 11:20:12 UTC |
a0692e9 | Janus Juul Eriksen | 16 January 2020, 10:30:03 UTC | comments | 16 January 2020, 10:30:03 UTC |
fcda4e8 | Janus Juul Eriksen | 16 January 2020, 10:24:55 UTC | new load distribution for screening | 16 January 2020, 10:24:55 UTC |
a80755d | Janus Juul Eriksen | 15 January 2020, 23:32:56 UTC | change ordering of occ & virt in generators | 15 January 2020, 23:32:56 UTC |
4aaf9c1 | Janus Juul Eriksen | 15 January 2020, 22:54:17 UTC | optimizations to generators | 15 January 2020, 22:54:17 UTC |
f51b411 | Janus Juul Eriksen | 15 January 2020, 16:29:30 UTC | Update README.md | 15 January 2020, 16:29:30 UTC |
da3e36c | Janus Juul Eriksen | 15 January 2020, 14:36:08 UTC | only yield tuple in tuples generator | 15 January 2020, 14:36:08 UTC |
93338fc | Janus Juul Eriksen | 15 January 2020, 14:18:31 UTC | include_idx & restricted_idx | 15 January 2020, 14:18:31 UTC |
48514c6 | Janus Juul Eriksen | 15 January 2020, 13:28:47 UTC | split tuples generator into three | 15 January 2020, 13:28:47 UTC |
f97b9b8 | Janus Juul Eriksen | 15 January 2020, 13:06:29 UTC | more memory optimizations | 15 January 2020, 13:06:29 UTC |
07b4830 | Janus Juul Eriksen | 15 January 2020, 12:07:27 UTC | only use generators | 15 January 2020, 12:07:27 UTC |
da3b899 | Janus Juul Eriksen | 15 January 2020, 11:49:51 UTC | WIP | 15 January 2020, 11:49:51 UTC |
41f8d56 | Janus Juul Eriksen | 14 January 2020, 14:58:13 UTC | back to hashes | 14 January 2020, 14:58:13 UTC |
d491b03 | Janus Juul Eriksen | 14 January 2020, 14:42:03 UTC | improved load dist in screening | 14 January 2020, 14:42:03 UTC |
47ebb72 | Janus Juul Eriksen | 14 January 2020, 13:31:45 UTC | no hashes to save memory | 14 January 2020, 13:31:45 UTC |
c319ff1 | Janus Juul Eriksen | 14 January 2020, 09:10:14 UTC | restore restart | 14 January 2020, 09:10:14 UTC |
f67f5bf | Janus Juul Eriksen | 12 January 2020, 23:12:03 UTC | WIP | 12 January 2020, 23:12:03 UTC |
d292971 | Janus Juul Eriksen | 12 January 2020, 22:45:19 UTC | comment out references to hash_2d | 12 January 2020, 22:45:19 UTC |
5842287 | Janus Juul Eriksen | 12 January 2020, 22:42:52 UTC | make hashes of tuples | 12 January 2020, 22:42:52 UTC |
df6ea99 | Janus Juul Eriksen | 12 January 2020, 22:19:41 UTC | more optimizations | 12 January 2020, 22:19:41 UTC |
7d36ceb | Janus Juul Eriksen | 11 January 2020, 08:07:29 UTC | use genexps | 11 January 2020, 08:07:29 UTC |
cf25407 | Janus Juul Eriksen | 10 January 2020, 21:08:57 UTC | no master-slave setup in mbe | 10 January 2020, 21:08:57 UTC |
0b856d6 | Janus Juul Eriksen | 10 January 2020, 16:24:39 UTC | optimization | 10 January 2020, 16:24:39 UTC |
3fd520e | Janus Juul Eriksen | 10 January 2020, 15:11:19 UTC | comment | 10 January 2020, 15:11:19 UTC |
edf4b2a | Janus Juul Eriksen | 10 January 2020, 14:51:55 UTC | new screening done (missing pi-pruning) | 10 January 2020, 14:51:55 UTC |
f4e06a7 | Janus Juul Eriksen | 10 January 2020, 13:40:14 UTC | WIP-8: testing | 10 January 2020, 13:40:14 UTC |
bce9b85 | Janus Juul Eriksen | 10 January 2020, 13:15:11 UTC | WIP-7: testing | 10 January 2020, 13:15:11 UTC |
c694975 | Janus Juul Eriksen | 10 January 2020, 13:06:20 UTC | WIP-6: testing | 10 January 2020, 13:06:20 UTC |
a532f67 | Janus Juul Eriksen | 10 January 2020, 12:53:05 UTC | WIP-5 | 10 January 2020, 12:53:05 UTC |
9814a01 | Janus Juul Eriksen | 10 January 2020, 12:03:39 UTC | WIP-4 | 10 January 2020, 12:03:39 UTC |
9b5868f | Janus Juul Eriksen | 10 January 2020, 11:47:51 UTC | WIP-3 | 10 January 2020, 11:47:51 UTC |
9e4cae9 | Janus Juul Eriksen | 10 January 2020, 11:06:23 UTC | WIP-2 | 10 January 2020, 11:06:23 UTC |
c5e81b9 | Janus Juul Eriksen | 10 January 2020, 10:20:38 UTC | WIP | 10 January 2020, 10:20:38 UTC |
4f161c0 | Janus Juul Eriksen | 06 January 2020, 14:25:05 UTC | slight change to output | 06 January 2020, 14:25:05 UTC |
0b8558b | Janus Juul Eriksen | 06 January 2020, 11:32:55 UTC | allow for PLT_FOUND = False | 06 January 2020, 11:32:55 UTC |
25bedbe | Janus Juul Eriksen | 21 December 2019, 09:38:16 UTC | Merge branch 'master' into dev | 21 December 2019, 09:38:16 UTC |
36cce3c | Janus Juul Eriksen | 21 December 2019, 09:37:56 UTC | Merge branch 'dev' | 21 December 2019, 09:37:56 UTC |
9158205 | Janus Juul Eriksen | 20 December 2019, 17:43:44 UTC | updated all tests | 20 December 2019, 17:43:44 UTC |
8bcac19 | Janus Juul Eriksen | 20 December 2019, 16:26:13 UTC | fixed a few doctests | 20 December 2019, 16:26:13 UTC |
f9ef68e | Janus Juul Eriksen | 18 November 2019, 22:38:48 UTC | Merge branch 'master' into dev | 18 November 2019, 22:38:48 UTC |
9b82f19 | Janus Juul Eriksen | 18 November 2019, 22:38:27 UTC | Merge branch 'dev' | 18 November 2019, 22:38:27 UTC |
0c6a2c7 | Janus Juul Eriksen | 16 November 2019, 15:04:54 UTC | avoid dipole ints for non-molecular Hamiltonians | 16 November 2019, 15:04:54 UTC |
d615e58 | Janus Juul Eriksen | 13 November 2019, 10:01:56 UTC | fix kernel doctests | 13 November 2019, 10:01:56 UTC |
f28321b | Janus Juul Eriksen | 31 October 2019, 22:57:13 UTC | change to coov pruning | 31 October 2019, 22:57:13 UTC |