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Commit Graph

1435 Commits

Author SHA1 Message Date
eaf34675c2 another useless bitstring_to_list 2022-05-12 19:58:23 +02:00
6224e449ca Replaces psi_det_size by N_det 2022-05-12 14:28:25 +02:00
8a7854de57 Update drone.yml 2022-05-12 12:08:18 +02:00
687fa9472a Update drone config 2022-05-12 12:04:32 +02:00
185f3a500c Fixed tests for Drone CI 2022-05-12 11:48:40 +02:00
7df3287241 Fix bug introduced by 57527c94a2 2022-05-12 10:12:36 +02:00
aa1eb991d0
Merge pull request #202 from Ydrnan/qp2_dev
update binom_func to avoid .999...
2022-05-11 21:47:35 +02:00
e15dceaa10 new format for pt2 2022-05-11 12:59:58 +02:00
57527c94a2 update binom_func to avoid .999... 2022-05-05 17:26:41 +02:00
c7f120f35e
Merge pull request #201 from Ydrnan/qp2_dev
update i_H_j
2022-05-05 16:36:16 +02:00
abac06299c update i_H_j 2022-05-05 16:22:44 +02:00
be6c230f52 Accelerated PT2 by removing sort 2022-05-01 21:42:20 +02:00
f168b885db Removed IPP dependency with intel using C quicksort 2022-05-01 14:43:21 +02:00
7cd6b13805 C quicksort 2022-05-01 14:27:16 +02:00
57b47807fa Added CIS_read 2022-04-21 14:27:36 +02:00
1d5f8400aa Update test values 2022-04-21 13:42:10 +02:00
644aa334dc Update test values 2022-04-21 13:39:01 +02:00
1453c461d7 Merge branch 'master' into dev 2022-04-19 10:13:47 +02:00
790b2d5f3f Drone CI 2022-04-19 10:13:38 +02:00
2c7ece82fe Merge branch 'dev' of github.com:QuantumPackage/qp2 into dev 2022-04-19 10:09:42 +02:00
057fe8185b Drone CI 2022-04-19 10:09:22 +02:00
aed545f02c Merge branch 'master' of github.com:QuantumPackage/qp2 2022-04-19 10:05:53 +02:00
1c4e1e1eeb Drone CI 2022-04-19 10:04:39 +02:00
c99bc33a4f Merge branch 'master' into dev 2022-04-14 01:15:32 +02:00
75dca5f9b5 Update droneCI 2022-04-14 01:15:21 +02:00
971436e656 Merge branch 'master' of github.com:QuantumPackage/qp2 2022-04-14 00:00:13 +02:00
d692391b6b Drone CI file 2022-04-13 23:58:55 +02:00
ac0e6bc3ca
Merge pull request #199 from QuantumPackage/dev
Dev
2022-04-13 19:54:30 +02:00
a1ed2282fa Adjust tests 2022-04-13 19:54:14 +02:00
662757e79f
Merge branch 'master' into dev 2022-04-13 19:23:15 +02:00
8d304f19e3
Merge pull request #198 from kossoski/dev
Dev
2022-04-13 18:47:05 +02:00
3762409767 Fixed ref values for tests 2022-04-13 17:58:24 +02:00
8cbabc6494 Fixed ref values for tests 2022-04-13 13:40:04 +02:00
kossoski
62c28db6da correction 2022-04-13 13:32:14 +02:00
kossoski
69138a2d25 Hierarchy CI 2022-04-13 13:25:39 +02:00
e813fd04f9 Drone 2022-04-12 17:29:29 +02:00
57bf2e2739 Drone 2022-04-12 17:25:48 +02:00
c3d95a8562 Drone 2022-04-12 16:00:33 +02:00
554af892ff Update drone 2022-04-12 15:55:51 +02:00
82409d3e73 Added drone CI config 2022-04-12 15:49:20 +02:00
d8cc3b6840 Merge branch 'dev' of github.com:QuantumPackage/qp2 into dev 2022-04-12 14:14:43 +02:00
19185c06f4 Add cipsi_save.sh 2022-04-11 23:55:17 +02:00
76b5fed5c1
Merge pull request #197 from Ydrnan/qp2_dev
fix error pt2
2022-04-11 14:21:52 +02:00
52c460367d fix error pt2 2022-04-11 13:55:00 +02:00
c102795499
Merge pull request #196 from Ydrnan/qp2_dev
fix error pt2 from det already in the wf
2022-04-11 10:03:19 +02:00
e6d0835657 fix error pt2 from det already in the wf 2022-04-08 17:21:03 +02:00
bd74e84bb1
Merge pull request #195 from Ydrnan/bugfix
Fix psi_det_size
2022-04-05 16:28:34 +02:00
e3e4036921 Fix psi_det_size 2022-04-05 16:15:51 +02:00
Emmanuel Giner
a99cfc82aa
Merge pull request #193 from QuantumPackage/dev
Dev
2022-03-28 23:46:42 +02:00
5d7da0567a
Merge pull request #194 from Ydrnan/qp2_dev
cis: add excitation energies in eV
2022-03-28 23:27:51 +02:00