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24017 Commits

Author SHA1 Message Date
Ye Luo e5e9400ab6
Merge branch 'develop' into auto_rebase_reapprove_post_rebase 2022-08-26 15:02:29 -05:00
Ye Luo c5cda81981
Merge pull request #4212 from ye-luo/adjust-record-array 
Adjust RecordArray to direct storage.
 2022-08-26 15:00:01 -05:00
walshmm d902fd99a9 finish adding info for gpg signing 2022-08-26 14:17:59 -04:00
walshmm c5e743bd1e add GPG as env var 2022-08-26 14:17:59 -04:00
walshmm c36cc11d2f have bot sign empty commit after rebase for security 2022-08-26 14:17:59 -04:00
Michael Walsh f2785e9719 fix update params 2 2022-08-26 14:17:59 -04:00
Michael Walsh 30389b81a5 fix update params 2022-08-26 14:17:59 -04:00
Michael Walsh eab89efba6 reapprove pr after rebase completes 2022-08-26 14:17:59 -04:00
Ye Luo e5b6de1150 No need to keep local metadata. 2022-08-26 11:30:57 -05:00
Ye Luo e659277fa4 Adjust RecordArray::resize option input order. 2022-08-26 11:19:35 -05:00
Ye Luo 7697f1a253 Adjust RecordArray to direct storage. 2022-08-26 10:33:35 -05:00
Ye Luo 8c9b4b9ba7
Merge pull request #4208 from camelto2/batched_dirac_det_mw_spin_api 
mw_ratioGradWithSpin for DiracDeterminantBatched
 2022-08-25 22:01:59 -05:00
Ye Luo 8e414b8e60
Merge branch 'develop' into batched_dirac_det_mw_spin_api 2022-08-25 19:48:00 -05:00
Ye Luo 05fa907d63
Merge branch 'develop' into afqmc_remove_use_of_multi_deprecated_functions 2022-08-25 16:24:21 -05:00
Ye Luo 4b57d300b9
Merge pull request #4126 from LeonOtis/part_two_param_filter 
Parameter Filtration in LM Optimizer
 2022-08-25 16:21:59 -05:00
Cody Melton cfb4e3a887 add comment and rename some variables 2022-08-25 15:18:09 -06:00
Cody Melton bdc2b920c9 clang format 2022-08-25 14:52:50 -06:00
Cody Melton a4d23550ee add updateFrom and comments 2022-08-25 14:52:06 -06:00
Alfredo Correa 5a871ba755 more get<1> 2022-08-25 12:47:04 -07:00
Alfredo Correa 82d2713609 fix walkersetbase header 2022-08-25 12:05:22 -07:00
Ye Luo 9dc32eba74 Rename to options_LMY_ 2022-08-25 13:52:01 -05:00
Ye Luo 6184a1c231 Rename variables in tests. 2022-08-25 13:23:22 -05:00
Ye Luo 8f36411b08 Merge remote-tracking branch 'origin/develop' into pr/origin-4126 2022-08-25 13:14:52 -05:00
Ye Luo a462563d44 Address review 2022-08-25 13:14:43 -05:00
Cody Melton 168b3fe78a fix datatype for unit test 2022-08-25 11:13:01 -06:00
Cody Melton 839b2ab596 clang-formatting 2022-08-25 10:46:47 -06:00
Cody Melton 0a777746cf Merge branch 'develop' into batched_dirac_det_mw_spin_api 2022-08-25 10:42:06 -06:00
Cody Melton b7ee120f70 undo empty implementation of mw_evalGradWithSpin 2022-08-25 10:40:25 -06:00
Cody Melton e32d3aba45 add to SpinorSet mw_evaluateVGLandRatioGradsWithSpin 2022-08-25 10:28:55 -06:00
Paul R. C. Kent 8cc5bd018b
Merge pull request #4205 from markdewing/fix_4203 
Update batch driver to fix parameter derivative
 2022-08-25 17:16:59 +02:00
Ye Luo 0ba895c51a
Merge branch 'develop' into fix_4203 2022-08-25 07:22:22 -05:00
Paul R. C. Kent 618cbf494b
Merge pull request #4204 from ye-luo/fix-printing 
Fix printing style issue.
 2022-08-25 08:29:55 +02:00
Ye Luo 59dce50161 Name struct as LMYOptions 2022-08-24 22:49:23 -05:00
Ye Luo 55e9192921 Fix the needGrad=false as well. 2022-08-24 17:07:15 -05:00
Mark Dewing 2f9c36e1f7 Update batch driver. 
Fix #4203
The change from the local potential to the total potential was done in
the legacy driver code, but not the batched driver code.
 2022-08-24 16:47:20 -05:00
Ye Luo 6106ae1295 Fix printing style issue. 2022-08-24 15:43:02 -05:00
Paul R. C. Kent 719a09ef8f
Merge pull request #4166 from kgasperich/rmg-conv-fix 
RMG converter/workflow test fixes
 2022-08-24 12:54:22 +02:00
Ye Luo e88319f564
Merge branch 'develop' into rmg-conv-fix 2022-08-23 21:33:24 -05:00
Ye Luo 4d9e4b481d
Merge pull request #4200 from ye-luo/reduce-nlpp-options-doc 
Remove nonlocalpp and use_nonlocalpp_deriv in docs and tests
 2022-08-23 21:10:48 -05:00
Ye Luo c47bea5be3 Fix RMG workflow task dependency. 2022-08-23 19:12:30 -05:00
Ye Luo 9a6b615ffb
Merge branch 'develop' into reduce-nlpp-options-doc 2022-08-23 19:05:42 -05:00
Ye Luo cd63b3a0a9
Merge pull request #4201 from ye-luo/guard-orb-rot 
Add isRotationSupported() and refine SPOSet.cpp error messages
 2022-08-23 18:47:09 -05:00
Kevin Gasperich b86b62fbfa add rmg converter test as dependency for xml copy 2022-08-23 18:01:26 -05:00
Kevin Gasperich 8be7e9c643 move dependency for rmg2qmc test 2022-08-23 17:58:08 -05:00
Kevin Gasperich c26b5ff67a remove extra depend 2022-08-23 17:17:33 -05:00
Kevin Gasperich 031cb9c7b5 cleaner dependencies for rmg tests 2022-08-23 16:35:02 -05:00
Kevin Gasperich 03be259160 add h5 link dependency for rmg converter test 2022-08-23 15:43:14 -05:00
Ye Luo 6855634a04 Update docs. 2022-08-23 15:42:02 -05:00
Ye Luo 0011c363cb Update test input. 2022-08-23 15:42:02 -05:00
Ye Luo f9966af47c
Merge branch 'develop' into guard-orb-rot 2022-08-23 14:50:51 -05:00