scnc
/
qmcpack
mirror of https://github.com/QMCPACK/qmcpack.git
1
0
Fork 0
Code Issues Packages Projects Releases Wiki Activity
15,793 Commits 5 Branches 23 Tags 570 MiB
Commit Graph

15793 Commits

Author SHA1 Message Date
mmorale3 3b63135558 Merge branch 'develop' of https://github.com/QMCPACK/qmcpack into fix_distributed_dense 2020-01-10 11:11:31 -08:00
mmorale3 0b0ad34a56 added routine to generate phfmol det file, small change to csr hdf5 readers 2020-01-10 11:10:57 -08:00
Paul R. C. Kent 3cf45d4fcb
Merge pull request #2209 from ye-luo/replace-tuple 
Replace tuple with NLPPJob
 2020-01-10 13:19:57 -05:00
Peter Doak ca8d94f3dc finishing transfer of WP and CSM changes from contaminated branch 2020-01-10 13:07:43 -05:00
Peter Doak 884ee9a7d7 Merge branch 'develop' into fix_forward_decl 2020-01-10 12:12:37 -05:00
Peter Doak e06967fa3b fixes from reviow 2020-01-10 12:11:21 -05:00
Peter Doak 7fe9ebc618 large number of trivial changes for WalkerProperties and CSM 2020-01-10 11:51:39 -05:00
Peter Doak 7af559d342 global enum for walker properes indexing made scoped 2020-01-10 11:45:13 -05:00
Peter Doak ae7da4b328 replacements for Ohmms container use in inappropriate context 2020-01-10 11:44:17 -05:00
Paul R. C. Kent 8783404e4c
Merge branch 'develop' into replace-tuple 2020-01-10 11:20:12 -05:00
Jaron Krogel b7ec139d96 nexus: protect against returned bytes from Popen 2020-01-10 10:45:03 -05:00
Paul R. C. Kent 8819e01853
Merge pull request #2208 from ye-luo/fix-particle-unit-test 
Fix test_particle
 2020-01-10 09:15:42 -05:00
Ye Luo 7f59708ad8 Make NLPPJob standalone. 2020-01-10 18:06:15 +08:00
Ye Luo 1a269111d3 Replace tuple with a struct 2020-01-10 17:08:51 +08:00
Ye Luo b3169953f4 Fix test_particle. 2020-01-10 17:06:32 +08:00
Ye Luo 5c3de3e571
Merge pull request #2207 from ye-luo/correct-C2-testnames 
Make the C2 test names consistent.
 2020-01-10 16:53:37 +08:00
Paul R. C. Kent 50faa26bf6
Merge branch 'develop' into correct-C2-testnames 2020-01-09 23:05:08 -05:00
Paul R. C. Kent e75edfabb9
Merge pull request #2206 from ye-luo/reduce-CI-timeout 
Reduce oxygen CI timeout limit
 2020-01-09 23:04:27 -05:00
Ye Luo bea6b80040 Make the C2 test names consistent. 2020-01-10 11:04:39 +08:00
Ye Luo 78ee0d0c78
Merge branch 'develop' into batched-NLPP-mw_evaluateRatios 2020-01-10 10:56:36 +08:00
Ye Luo 439c1f3b45 Remove rhea CI scripts. 2020-01-10 10:52:25 +08:00
Ye Luo a55679ed0e Reduce all the CI tests' timeout. 2020-01-10 10:52:25 +08:00
Ye Luo 0d77ef7d7b
Merge pull request #2193 from ye-luo/fix-ALIGN 
Remove ALIGN as independent template parameter when memory allocator is available
 2020-01-10 10:51:57 +08:00
Paul R. C. Kent 6c09372994
Merge branch 'develop' into fix-ALIGN 2020-01-09 20:56:14 -05:00
Paul R. C. Kent b2bef42e7b
Merge pull request #2201 from markdewing/test_estimator_py3 
Update tests/estimator scripts for Python 3
 2020-01-09 19:58:29 -05:00
Paul R. C. Kent 6ea8b5b6de
Merge branch 'develop' into test_estimator_py3 2020-01-09 14:40:24 -05:00
Paul R. C. Kent 5b09c39618
Merge pull request #2200 from prckent/reqpy3 
Update CMakeLists and all shebangs to require Python3
 2020-01-09 14:30:54 -05:00
Ye Luo 1f0ee3370a remove python command in CMake/python.cmake 2020-01-09 19:48:17 +08:00
Ye Luo addfa5d6af Merge remote-tracking branch 'github/develop' into reqpy3 2020-01-09 02:35:04 -06:00
Ye Luo e84e19a2ef Fix headers. 2020-01-09 02:22:58 -06:00
Ye Luo 709196646e Connect grid_external_potential test. 2020-01-09 02:16:50 -06:00
Ye Luo d8df0289f2 Python3 requirement in README.md 2020-01-09 00:46:06 -06:00
Ye Luo 8d967e8fb8
Merge branch 'develop' into fix-ALIGN 2020-01-09 14:36:52 +08:00
Ye Luo ea1bf7713a
Merge pull request #2184 from ye-luo/batched-NLPP 
Walker batching in NLPP step 1
 2020-01-09 14:36:30 +08:00
Ye Luo db4db3dc20 Abort cmake if python3 is not found. 2020-01-09 00:35:00 -06:00
Peter Doak 6c28c02e1b
Merge branch 'develop' into fix_forward_decl 2020-01-08 22:32:12 -05:00
Paul R. C. Kent f4ce2b80cf
Merge branch 'develop' into batched-NLPP 2020-01-08 22:31:34 -05:00
Paul R. C. Kent a54ad694bf
Merge pull request #2198 from markdewing/update_py3_check_stats 
Update check_stats.py for python 3
 2020-01-08 22:31:07 -05:00
Peter Doak 9400cd5999
Merge branch 'develop' into fix_forward_decl 2020-01-08 19:01:07 -05:00
Paul R. C. Kent 8f834f64ca
Merge branch 'develop' into update_py3_check_stats 2020-01-08 15:22:54 -05:00
Paul R. C. Kent 0da0af69d5
Merge pull request #2197 from camelto2/SODMC 
DMC with dynamic spin variables
 2020-01-08 15:22:15 -05:00
Peter Doak 216517f907 CMake change suggested by @markdewing for easier maintainability 2020-01-08 14:38:55 -05:00
Peter Doak d244921231 Added cmake option to supress expensive system level test installs 
nexus actually surpressed in you don't want it installed
 2020-01-08 13:32:17 -05:00
Mark Dewing 7efd5eee7a Update tests/estimator scripts for Python 3 2020-01-08 11:57:57 -06:00
Paul Kent 6d052c0d26 Require Python3 2020-01-08 12:52:22 -05:00
Peter Doak d14e7ee2e9 fix typo 2020-01-08 12:44:58 -05:00
Peter Doak 9c85ddf19c
Merge branch 'develop' into batched-NLPP 2020-01-08 11:47:21 -05:00
Paul R. C. Kent a311b64e99
Python3 required 2020-01-08 11:35:41 -05:00
Ye Luo ae07990dd6
Merge branch 'develop' into SODMC 2020-01-09 00:02:43 +08:00
Ye Luo 63caf7dbcb
Merge pull request #2181 from jtkrogel/nx_qmca_file_order 
Nexus: ensure weights and file order always match in qmca
 2020-01-09 00:00:52 +08:00