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ebcc68f2cf
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Renamed InP files and tweaked
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2020-06-12 17:58:33 -06:00 |
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574f6307e7
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Merge master into chem_snap and update dulist merge conflict
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2020-06-12 13:31:43 -07:00 |
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d84b4a3fff
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Merge pull request #2152 from stanmoore1/kk_snap_mem
Remove unnecessary memory allocation in Kokkos PairSNAP
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2020-06-12 15:28:28 -04:00 |
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49556edd50
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Remove unnecessary allocation
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2020-06-12 12:39:03 -06:00 |
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497e30af82
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fully integrate and update USER-MESONT docs. Add notes about C++ pair style and download of potential files
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2020-06-12 09:02:56 -04:00 |
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92d54d2764
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not portable to use "mpi"
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2020-06-12 09:01:59 -04:00 |
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e52a05f525
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whitespace fixes
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2020-06-12 08:26:25 -04:00 |
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e3f8af6cec
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Merge remote-tracking branch 'github/master' into feature-cnt
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2020-06-12 08:25:52 -04:00 |
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0c23fcae91
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Merge pull request #2149 from jtclemm/sort-atom-callbacks
Sort atom callbacks
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2020-06-12 08:22:02 -04:00 |
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2b49d2398c
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Merge branch 'master' into feature-cnt
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2020-06-12 07:17:02 -04:00 |
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55089df679
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add a few missing typecasts
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2020-06-12 07:01:32 -04:00 |
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b246c96056
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remove duplicate package name
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2020-06-12 06:36:44 -04:00 |
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ba5e78b97a
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move pair style mesocnt example to the USER-MESONT folder. unbundle potential file
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2020-06-12 06:33:45 -04:00 |
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cf359dede2
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Merge pull request #2139 from akohlmey/fetch-potentials
Add feature to transparently download external potential files when packages are enabled
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2020-06-12 06:28:42 -04:00 |
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d61d8899ff
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Merge branch 'fetch-potentials' into feature-cnt
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2020-06-12 05:54:45 -04:00 |
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cf5c748fb4
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Merge branch 'master' into feature-cnt
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2020-06-12 05:53:17 -04:00 |
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22ed175632
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Merge pull request #2151 from akohlmey/move-ubuf-to-lmptype
Move definition(s) of union ubuf to lmptype.h
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2020-06-12 05:51:41 -04:00 |
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0bc1c3b2a2
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update example logs and inputs
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2020-06-12 05:48:49 -04:00 |
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53e0cc1b88
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remove dead code, fix up a few details and reduce compiler warnings
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2020-06-12 05:35:50 -04:00 |
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5862dcbb3a
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fully integrate USER-MESONT into the conventional build system
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2020-06-12 05:35:25 -04:00 |
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d1546262a4
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replace non-standard tabs with blanks
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2020-06-12 05:15:23 -04:00 |
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74df1bcf7d
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update makefiles and add dependencies for parallel compile
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2020-06-12 05:07:19 -04:00 |
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5f86bac419
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Merge pull request #2144 from rbberger/tokenizer-performance-fixes
Performance optimization of Tokenizer
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2020-06-12 04:20:05 -04:00 |
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3c99471df8
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add a few more unit tests for functions in utils
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2020-06-12 01:29:42 -04:00 |
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8c470b9e8b
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Merge branch 'master' into tokenizer-performance-fixes
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2020-06-12 00:43:43 -04:00 |
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554905ba36
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move version date one more time
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2020-06-11 23:11:44 -04:00 |
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6b783d31ad
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fix spelling
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2020-06-11 21:28:32 -04:00 |
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219a3e4ce2
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fix format (again)
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2020-06-11 21:27:27 -04:00 |
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bb144f0d1b
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Merge branch 'reset-ids-sort' into move-ubuf-to-lmptype
# Conflicts:
# src/reset_ids.h
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2020-06-11 20:12:37 -04:00 |
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965ec37e80
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whitespace/format fixes
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2020-06-11 20:11:38 -04:00 |
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1e8ef99fa7
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use compile time tests instead of runtime checks for skipping 64bit tests on 32bit integers
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2020-06-11 19:17:17 -04:00 |
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9ca0d01a5b
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silence compiler warnings
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2020-06-11 19:05:06 -04:00 |
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a8c1ce98cf
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remove trailing whitespace
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2020-06-11 19:04:15 -04:00 |
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6274234376
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have a single union ubuf definition in lmptype.h and remove others
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2020-06-11 18:37:31 -04:00 |
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883a6c5aa1
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Addressing include conflict
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2020-06-11 16:24:29 -06:00 |
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006f7956c1
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Merge remote-tracking branch 'github/reset-ids-sort' into move-ubuf-to-lmptype
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2020-06-11 18:11:51 -04:00 |
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fc9bbd4d06
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Merge pull request #2121 from rbberger/gran-wall-store-contacts-fix
Document and fix store_contacts in fix gran/wall and gran/wall/region
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2020-06-11 18:04:23 -04:00 |
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bdce720337
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Merge pull request #2143 from lammps/hyper-eligible
fix a bug with checking too early for ineligibilty for biasing
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2020-06-11 18:02:19 -04:00 |
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e70f23cdcc
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Switching to std::sort
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2020-06-11 15:42:37 -06:00 |
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b9303378ac
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move pair style mesocnt from USER-MISC to (upcoming) USER-MESONT package
the remaining documentation and README files will be updated once USER-MESONT is integrated
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2020-06-11 17:41:19 -04:00 |
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9ca7091385
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Merge pull request #2141 from akohlmey/kokkos-make-arch-case-insensitive
Make kokkos configuration keywords with gmake case insensitive
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2020-06-11 17:20:43 -04:00 |
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77a38c2a0a
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remove (unsupported) reference to AMD Ryzen
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2020-06-11 17:03:20 -04:00 |
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9896d10d0c
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whitespace cleanup
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2020-06-11 16:52:38 -04:00 |
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d95859c73b
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update hyperdynamics example log files
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2020-06-11 16:52:30 -04:00 |
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96a6afd42a
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Merge pull request #2148 from akohlmey/kim-echo-log-refactor
KIM package echo/log refactor and bugfix
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2020-06-11 16:46:41 -04:00 |
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765b547a40
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Merge pull request #2147 from stanmoore1/kk_sw
Fix compile error with pair_sw_kokkos
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2020-06-11 16:20:03 -04:00 |
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ca424772df
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Improving clarity of loops
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2020-06-11 14:10:26 -06:00 |
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006ada3a52
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Sorting atom callback lists
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2020-06-11 14:03:59 -06:00 |
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3a5cdd384f
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vector -> array
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2020-06-11 14:51:36 -04:00 |
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43d3133583
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Whitespace
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2020-06-11 14:00:13 -04:00 |
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