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f4512851bf
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provder for Ha to eV
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2022-05-19 10:42:29 +02:00 |
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62dbf11942
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update au to eV
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2022-05-19 10:28:05 +02:00 |
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eda7ea7440
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Removed docker files
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2022-05-16 13:48:23 +02:00 |
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35627a6c22
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Merge pull request #205 from Ydrnan/qp2_dev
fix bug save_wavefunction_general
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2022-05-13 19:10:49 +02:00 |
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29c0dc2e2f
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fix bug save_wavefunction_general
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2022-05-13 18:50:54 +02:00 |
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5c26322e86
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Merge pull request #204 from Ydrnan/qp2_dev
duplication of N_det in OMP section
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2022-05-13 18:17:47 +02:00 |
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135082dd7d
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duplication if N_det in OMP section
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2022-05-13 18:07:40 +02:00 |
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774a1309ae
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Merge branch 'dev' of github.com:QuantumPackage/qp2 into dev
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2022-05-13 10:17:28 +02:00 |
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c5d623feb6
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Merge branch 'dev' of github.com:QuantumPackage/qp2 into dev
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2022-05-13 10:17:18 +02:00 |
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1f81de5bd4
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Additional check in run_selection_slave
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2022-05-13 10:11:21 +02:00 |
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bcb334afd2
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Changed order of tests
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2022-05-13 10:11:21 +02:00 |
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c64e92de45
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Merge pull request #203 from Ydrnan/qp2_dev
another useless bitstring_to_list
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2022-05-13 09:22:27 +02:00 |
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eaf34675c2
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another useless bitstring_to_list
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2022-05-12 19:58:23 +02:00 |
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6224e449ca
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Replaces psi_det_size by N_det
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2022-05-12 14:28:25 +02:00 |
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8a7854de57
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Update drone.yml
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2022-05-12 12:08:18 +02:00 |
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687fa9472a
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Update drone config
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2022-05-12 12:04:32 +02:00 |
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185f3a500c
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Fixed tests for Drone CI
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2022-05-12 11:48:40 +02:00 |
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7df3287241
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Fix bug introduced by 57527c94a2
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2022-05-12 10:12:36 +02:00 |
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aa1eb991d0
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Merge pull request #202 from Ydrnan/qp2_dev
update binom_func to avoid .999...
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2022-05-11 21:47:35 +02:00 |
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e15dceaa10
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new format for pt2
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2022-05-11 12:59:58 +02:00 |
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57527c94a2
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update binom_func to avoid .999...
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2022-05-05 17:26:41 +02:00 |
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c7f120f35e
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Merge pull request #201 from Ydrnan/qp2_dev
update i_H_j
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2022-05-05 16:36:16 +02:00 |
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abac06299c
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update i_H_j
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2022-05-05 16:22:44 +02:00 |
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be6c230f52
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Accelerated PT2 by removing sort
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2022-05-01 21:42:20 +02:00 |
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f168b885db
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Removed IPP dependency with intel using C quicksort
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2022-05-01 14:43:21 +02:00 |
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7cd6b13805
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C quicksort
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2022-05-01 14:27:16 +02:00 |
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57b47807fa
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Added CIS_read
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2022-04-21 14:27:36 +02:00 |
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1453c461d7
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Merge branch 'master' into dev
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2022-04-19 10:13:47 +02:00 |
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790b2d5f3f
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Drone CI
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2022-04-19 10:13:38 +02:00 |
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2c7ece82fe
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Merge branch 'dev' of github.com:QuantumPackage/qp2 into dev
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2022-04-19 10:09:42 +02:00 |
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057fe8185b
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Drone CI
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2022-04-19 10:09:22 +02:00 |
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aed545f02c
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Merge branch 'master' of github.com:QuantumPackage/qp2
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2022-04-19 10:05:53 +02:00 |
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1c4e1e1eeb
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Drone CI
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2022-04-19 10:04:39 +02:00 |
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c99bc33a4f
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Merge branch 'master' into dev
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2022-04-14 01:15:32 +02:00 |
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75dca5f9b5
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Update droneCI
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2022-04-14 01:15:21 +02:00 |
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971436e656
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Merge branch 'master' of github.com:QuantumPackage/qp2
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2022-04-14 00:00:13 +02:00 |
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d692391b6b
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Drone CI file
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2022-04-13 23:58:55 +02:00 |
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ac0e6bc3ca
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Merge pull request #199 from QuantumPackage/dev
Dev
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2022-04-13 19:54:30 +02:00 |
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a1ed2282fa
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Adjust tests
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2022-04-13 19:54:14 +02:00 |
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662757e79f
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Merge branch 'master' into dev
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2022-04-13 19:23:15 +02:00 |
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8d304f19e3
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Merge pull request #198 from kossoski/dev
Dev
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2022-04-13 18:47:05 +02:00 |
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3762409767
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Fixed ref values for tests
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2022-04-13 17:58:24 +02:00 |
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8cbabc6494
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Fixed ref values for tests
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2022-04-13 13:40:04 +02:00 |
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kossoski
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62c28db6da
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correction
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2022-04-13 13:32:14 +02:00 |
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kossoski
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69138a2d25
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Hierarchy CI
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2022-04-13 13:25:39 +02:00 |
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e813fd04f9
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Drone
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2022-04-12 17:29:29 +02:00 |
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57bf2e2739
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Drone
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2022-04-12 17:25:48 +02:00 |
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c3d95a8562
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Drone
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2022-04-12 16:00:33 +02:00 |
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554af892ff
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Update drone
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2022-04-12 15:55:51 +02:00 |
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82409d3e73
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Added drone CI config
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2022-04-12 15:49:20 +02:00 |
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