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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-10-14 03:31:32 +02:00
Commit Graph

1389 Commits

Author SHA1 Message Date
29c0dc2e2f fix bug save_wavefunction_general 2022-05-13 18:50:54 +02:00
5c26322e86
Merge pull request #204 from Ydrnan/qp2_dev
duplication of N_det in OMP section
2022-05-13 18:17:47 +02:00
135082dd7d duplication if N_det in OMP section 2022-05-13 18:07:40 +02:00
774a1309ae Merge branch 'dev' of github.com:QuantumPackage/qp2 into dev
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2022-05-13 10:17:28 +02:00
c5d623feb6 Merge branch 'dev' of github.com:QuantumPackage/qp2 into dev 2022-05-13 10:17:18 +02:00
1f81de5bd4 Additional check in run_selection_slave 2022-05-13 10:11:21 +02:00
bcb334afd2 Changed order of tests 2022-05-13 10:11:21 +02:00
c64e92de45
Merge pull request #203 from Ydrnan/qp2_dev
another useless bitstring_to_list
2022-05-13 09:22:27 +02:00
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
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2022-05-12 12:08:18 +02:00
687fa9472a Update drone config
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2022-05-12 12:04:32 +02:00
185f3a500c Fixed tests for Drone CI
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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
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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
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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
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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
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2022-04-21 14:27:36 +02:00
1453c461d7 Merge branch 'master' into dev
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2022-04-19 10:13:47 +02:00
790b2d5f3f Drone CI
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2022-04-19 10:13:38 +02:00
2c7ece82fe Merge branch 'dev' of github.com:QuantumPackage/qp2 into dev
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2022-04-19 10:09:42 +02:00
057fe8185b Drone CI
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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
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2022-04-14 01:15:32 +02:00
75dca5f9b5 Update droneCI
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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
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2022-04-12 17:29:29 +02:00
57bf2e2739 Drone
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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
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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