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c7e4346558
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only print neighbor list info if there are neighbor lists
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2022-08-28 07:17:41 -04:00 |
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ff9c02f053
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improved error messages in pair and input.cpp
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2022-08-18 21:08:36 +08:00 |
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5a10b09005
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Merge branch 'improve-errors' of github.com:crackboy88/lammps into improve-errors
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2022-08-18 11:23:27 +08:00 |
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9beb60c713
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improve error messages in change_box,create_box,domain,input,lattice and neighbor.cpp
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2022-08-18 11:22:36 +08:00 |
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1b979be939
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Merge pull request #3392 from akohlmey/minimize-neighbor-check
Update test for neighbor list settings during minimization
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2022-08-17 20:55:23 -04:00 |
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92c9614429
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Merge branch 'develop' into refactor-find-xxx
# Conflicts:
# src/atom.h
# src/compute_centroid_stress_atom.cpp
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2022-08-17 15:48:26 -04:00 |
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20b87d3cd4
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Merge pull request #3398 from hammondkd/cite-reminders
Cite reminders
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2022-08-17 15:40:35 -04:00 |
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29e1595fb4
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Updates to BibTeX syntax for anything that needed it that I caught and fixes to address Issue #2597
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2022-08-13 04:51:54 -05:00 |
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c2115c27e8
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regularize a few citation reminders
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2022-08-13 02:10:28 -04:00 |
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98593b4ad5
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Improved from last revision of neighbor.cpp
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2022-08-13 08:35:20 +08:00 |
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6d624b782d
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made some changes on neighbor.cpp
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2022-08-12 12:12:22 +08:00 |
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871a6d5cf7
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more consistent output format
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2022-08-11 07:54:47 -04:00 |
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b465d3c86f
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silence compiler warnings about unused variables
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2022-08-06 19:59:37 -04:00 |
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62d0277f34
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Merge pull request #3341 from stanmoore1/hybrid_cutoffs
Add pair_modify option to allow separate cutoffs for each neigh list …
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2022-07-13 10:51:55 -04:00 |
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5986c607d0
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Add logic to only select intel/omp trim
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2022-07-12 13:37:19 -06:00 |
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d67ab73a89
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Revert 56dc342
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2022-07-12 09:13:07 -06:00 |
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56dc342b5b
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Disable trim from OPENMP and INTEL packages
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2022-07-12 08:25:20 -06:00 |
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f0d8ced6ff
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fix uninitialized variable bug
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2022-07-12 00:03:36 -04:00 |
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51ac15bdc7
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Fix sorting issue
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2022-07-11 17:06:12 -06:00 |
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f795cf0001
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typo
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2022-07-11 11:22:06 -06:00 |
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66b99008ef
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Fix memory issue
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2022-07-11 11:18:54 -06:00 |
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97824a6d46
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Fix logic issue
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2022-07-11 09:04:51 -06:00 |
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ba2999dfbb
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Whitespace
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2022-07-08 10:04:33 -06:00 |
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de274cddef
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Add pair_modify option to allow separate cutoffs for each neigh list with pair hybrid/overlay
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2022-07-07 16:48:03 -06:00 |
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97fab45f7e
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Merge branch 'develop' into amoeba-ak
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2022-05-28 05:24:02 -04:00 |
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814daf7f4f
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fix cut-n-paste error
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2022-05-20 01:06:09 -04:00 |
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bfb126ec7c
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make neighbor list searches optionally check for the request ID
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2022-05-19 23:37:55 -04:00 |
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f8f2b9542e
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sync with current develop
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2022-04-18 17:29:23 -06:00 |
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36723853c9
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Merge branch 'develop' into BPM
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2022-04-11 12:18:34 -04:00 |
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200b4f13c7
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use dynamic cast instead of c-style cast when casting from base type to derived class
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2022-04-10 18:18:06 -04:00 |
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39b316729b
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use auto type when assigning from cast or using new
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2022-04-10 18:16:36 -04:00 |
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92a968a8a9
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Resolving merge conflicts
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2022-03-23 14:28:27 -06:00 |
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1bba1ca2ae
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fix logic bug
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2022-03-10 05:44:31 -05:00 |
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61f5bbd633
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update logic to avoid stall with neighbor list statistic during final summary
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2022-03-10 05:21:53 -05:00 |
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10f8a597c7
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use proper header for access to Kokkos class.
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2022-03-10 01:11:33 -05:00 |
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26c0b9cf87
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move calculation of number of neighbors to Neighbor class
this allows reusing the code in the ImbalanceNeigh class
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2022-03-09 23:18:28 -05:00 |
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2e2bd37883
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automatically enable intel neighbor list request property for intel pair styles
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2022-03-09 21:19:19 -05:00 |
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72cbffee7d
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fix bug looking up neighbor lists
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2022-03-06 05:24:15 -05:00 |
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4781a4c8c6
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style update
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2022-03-06 04:49:08 -05:00 |
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e9bcde4b58
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more openmp neighbor list function to Neighbor class
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2022-03-06 04:48:37 -05:00 |
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cc618264a0
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allow only one accelerator type enabled for neighbor lists
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2022-03-06 04:47:22 -05:00 |
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54e667e491
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convert more styles to use new neighbor list request API, apply clang-format
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2022-03-05 21:44:45 -05:00 |
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f1d695299e
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simplify checking for intel neighbor list requests
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2022-03-05 20:31:56 -05:00 |
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d4272815a3
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add new APIs for creating and manipulating neighbor list requests
also add a few new (delegating) constructors to simplify code
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2022-03-02 21:30:16 -05:00 |
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642b1e25f6
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Updating to develop
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2022-02-18 13:58:38 -07:00 |
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6a0e93a18a
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convert more style_creators to use local static functions
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2022-02-11 18:29:52 -05:00 |
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d7f7835069
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Fix merge conflicts, minor style fixes
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2021-11-01 18:13:06 -06:00 |
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56cd66a6c3
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Merge branch 'master' into parse-logical-keyword
# Conflicts:
# src/H5MD/dump_h5md.cpp
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2021-09-29 23:05:59 -04:00 |
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dd4b195552
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silence compiler warnings
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2021-09-29 14:04:01 -04:00 |
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8a35ea05bc
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Prevent neigh list from copying "unique" stencil/bin
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2021-09-28 15:33:44 -06:00 |
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