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24059 Commits

Author SHA1 Message Date
Ye Luo 8b9ab42dc8 Update deterministic-diamondC_2x1x1_pp-delayed_update-vmc_sdj-1-1-nonlocalecp tolerance. 2022-09-16 15:12:33 -05:00
William F Godoy 7bb2ca4a15 Upgrade to Clang15 and GCC9 on CI 
Clang15 only on sulfur
 2022-09-16 13:22:21 -04:00
Ye Luo c6ad1b5fcb
Merge pull request #4241 from correaa/afqmc_add_missing_header_in_test 
[AFQMC] add missing header to test
 2022-09-15 20:30:54 -05:00
Alfredo Correa 2c82859e9e add missing header 2022-09-15 15:03:44 -07:00
Ye Luo 237c4580d2
Merge pull request #4238 from quantumsteve/qmc_symlink_test_files 
Fix -DQMC_SYMLINK_TEST_FILES=OFF
 2022-09-15 12:33:00 -05:00
Steven Hahn 7ed33944d2 Comment about using configure_file 
Signed-off-by: Steven Hahn <hahnse@ornl.gov>
 2022-09-15 10:34:21 -04:00
Steven Hahn e63cba0a2b replace _DIR with _FILE 
Signed-off-by: Steven Hahn <hahnse@ornl.gov>
 2022-09-15 10:07:01 -04:00
Steven Hahn 41879cedcb file(COPY ...) won't rename file 
Signed-off-by: Steven Hahn <hahnse@ornl.gov>
 2022-09-14 17:27:23 -04:00
Ye Luo cc544e2ae7
Merge pull request #4232 from correaa/update_multi_deprecated3 
Update multi deprecated3
 2022-09-13 09:48:53 -05:00
Ye Luo f857801de1
Merge branch 'develop' into update_multi_deprecated3 2022-09-13 07:42:31 -05:00
Alfredo Correa dbc43c3da2 more remove deprecated functions 2022-09-12 19:39:10 -07:00
Alfredo Correa a342e95f5e remove deprecated functions in tests 2022-09-12 19:37:09 -07:00
Alfredo Correa 4b19f2042f remove deprecated functions 2022-09-12 19:32:24 -07:00
Ye Luo 1bd3867dfb
Merge pull request #4231 from camelto2/spinorset_offload_vgl_detratios 
SpinorSet offload VGLandDetGradRatios
 2022-09-12 18:37:46 -05:00
Cody Melton be376e346e remove the ; after PRAGMA_OFFLOAD 2022-09-12 12:36:57 -06:00
Cody Melton 34c2eb2ce4 Merge branch 'develop' into spinorset_offload_vgl_detratios 2022-09-12 11:49:29 -06:00
Cody Melton d4bd5abe18 add initial offload implementation 2022-09-12 11:47:55 -06:00
Paul R. C. Kent 863c1397ee
Merge pull request #4230 from correaa/update_multi_deprecated2 
Update multi deprecated2
 2022-09-12 12:51:43 -04:00
Cody Melton 4d3c82ff97 Merge branch 'develop' into spinorset_offload_vgl_detratios 2022-09-12 08:16:42 -06:00
Alfredo Correa ea056502bc more deprecated 2022-09-11 23:40:06 -07:00
Alfredo Correa 3ea9cd0544 more gets 2022-09-10 19:56:37 -07:00
Ye Luo 08b5aa7202
Merge pull request #4225 from correaa/update_multi_deprecated 
remove deprecated functions update Multi
 2022-09-10 17:05:34 -05:00
Ye Luo ddd8cdcc54
Merge branch 'develop' into update_multi_deprecated 2022-09-10 14:56:31 -05:00
Alfredo Correa 78097d11b8 more removed 2022-09-10 01:50:24 -07:00
Alfredo Correa 4cdd96ff0d more deprecated functions removed 2022-09-09 22:10:49 -07:00
Alfredo Correa 9e495d6ab0 add sizes to csr_matrix 2022-09-09 16:13:45 -07:00
Alfredo Correa fe957ad06a remove use of deprecated functions 2022-09-09 14:27:53 -07:00
Cody Melton 3d808309d1 move data to SpinorSetMultiWalkerResource 2022-09-09 14:10:03 -06:00
Ye Luo 649ac4d41f
Merge pull request #4227 from quantumsteve/4195_configuration_writes 
Disable configuration writing upon request in batched drivers
 2022-09-09 15:01:30 -05:00
Cody Melton 1fa55ea2ba make all mw_ use extractSpinComponentRefList 2022-09-09 12:50:37 -06:00
Cody Melton 9487628aec add extract spin component ref list to spinorset 2022-09-09 12:34:15 -06:00
Ye Luo 6ef3dcb7ad Merge remote-tracking branch 'origin/develop' into pr/origin-4227 2022-09-09 12:51:56 -05:00
Ye Luo 3921b9a0cc
Merge pull request #4226 from camelto2/spinorset_resources 
SpinorSet resources
 2022-09-09 12:51:45 -05:00
Ye Luo 8b42da1bd5 Add file existence tests. 2022-09-09 12:32:40 -05:00
Alfredo Correa 3a9aad1da9 remove deprecated functions 2022-09-09 09:30:33 -07:00
Alfredo Correa 11bfd9f704 fix bug on sizes 2022-09-09 09:20:52 -07:00
Ye Luo 492a809926 Move one more include line. 2022-09-09 10:41:29 -05:00
Ye Luo 33bc80ce8b Move multi walker resource definition to cpp. 2022-09-09 10:37:27 -05:00
Steven Hahn f0b740b379 checkpoint=-1 sets dump_config_ = false 
Signed-off-by: Steven Hahn <hahnse@ornl.gov>
 2022-09-09 10:26:39 -04:00
Cody Melton 073d5a2946 adding check on Resource APIs to unit tests 2022-09-09 08:00:13 -06:00
Cody Melton 682f442a9f Merge branch 'develop' into spinorset_resources 2022-09-09 07:27:53 -06:00
Cody Melton eab8931d99 add resource functions 2022-09-09 07:17:39 -06:00
Alfredo Correa d295a72ecd stopping before a likely bug in the original code 2022-09-09 00:27:16 -07:00
Ye Luo 353654b72c
Merge pull request #4223 from ye-luo/merge-J2 
Fuse J2OrbitalSoA and J2OMPTarget as TwoBodyJastrow
 2022-09-09 02:09:27 -05:00
Alfredo Correa 9a26b38a29 remove deprecated functions 2022-09-08 21:26:24 -07:00
Ye Luo 4323b6f6c6 Fix resource bugs in test_TrialWaveFunction_He 2022-09-08 13:42:51 -05:00
Ye Luo 540a7e0bea Formatting. 2022-09-08 00:30:31 -05:00
Ye Luo f9f410e86e Remove J2OrbitalSoA and rename J2OMPTarget to TwoBodyJastrow 2022-09-08 00:15:58 -05:00
Ye Luo f8d396ed03 Rename Legacy CUDA Jastrow classes. 2022-09-07 23:56:28 -05:00
Ye Luo fece29e363 Allow on/off offload in J2OMPTarget.h 2022-09-07 23:37:29 -05:00