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af5ac6bcdf
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Add NULL pointers to constructor init
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2018-10-02 09:55:37 -04:00 |
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89c0655809
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Add input validation
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2018-10-02 09:46:53 -04:00 |
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3a0cfc1d57
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Modifying headers
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2018-10-02 09:32:26 -04:00 |
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dba8f9c62b
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Merge pull request #1137 from dilkins/fast-forward-langevin
Fast-forward Langevin functionality included in USER-MISC package
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2018-10-02 14:19:37 +02:00 |
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ca3a64ea3e
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fully integrate fix ffl in conventional build processing
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2018-10-02 11:25:39 +02:00 |
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d5e71e7099
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enumeration of flip types
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2018-10-02 10:41:55 +02:00 |
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14251948f3
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LAMMPS coding conventions
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2018-10-02 10:18:40 +02:00 |
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b9d12f0aa0
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Update function pointer name
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2018-10-01 22:01:12 -05:00 |
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f61f43a56b
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Merge branch 'master' into kim-v2-update
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2018-10-01 21:17:26 -05:00 |
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799ffc58d9
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C++ system headers included and enumeration of flip_int used;documentation corrected
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2018-10-01 17:13:56 +02:00 |
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ffbc33bea5
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Merge branch 'master' into doc-adjust
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2018-09-28 17:07:51 +02:00 |
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21c59d4cf0
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Fast-forward Langevin functionality included
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2018-09-28 12:46:11 +02:00 |
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4fe23c3854
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Merge pull request #1120 from pmla/polyhedral-template-matching
Added compute for Polyhedral Template Matching
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2018-09-28 12:26:06 +02:00 |
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1de76c33fd
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Merge pull request #1122 from oywg11/master
collecting small changes for potential #839
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2018-09-28 12:22:29 +02:00 |
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9ae6cb5c4f
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add recently renamed file to purge list
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2018-09-27 07:28:44 -04:00 |
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f23b638d47
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include USER-PTM into git management
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2018-09-27 07:23:38 -04:00 |
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5481e99331
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remove broken USER-OMP pair style
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2018-09-27 06:52:20 -04:00 |
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5a6226caa5
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jive src headers with doc page entries and example scripts
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2018-09-25 10:50:43 -06:00 |
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37fe03c0ab
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escape backslash in bibtex string for correct citeme output
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2018-09-25 09:19:09 -04:00 |
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93e56c113a
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add USER-PTM to build system
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2018-09-25 09:18:11 -04:00 |
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e5ddc909ad
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Fully zero-init MEAM data structure
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2018-09-25 14:19:26 +02:00 |
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aefdcd0f94
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Silence some warnings
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2018-09-25 11:14:42 +02:00 |
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918030bf1c
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Merge branch 'master' of https://github.com/oywg11/lammps into ilp-update
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2018-09-24 10:29:08 -04:00 |
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6e546ef5af
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added ptm namespace
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2018-09-20 14:20:58 -04:00 |
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5aeba421bb
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Add compute_pressure_cylinder .cpp and .h files
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2018-09-20 09:15:43 -04:00 |
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37201beda5
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Fixed folder structure
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2018-09-20 00:04:07 -04:00 |
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c705e8d0e6
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renamed files for LAMMPS build system compatibility
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2018-09-19 20:46:48 -04:00 |
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cda89283aa
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warn more loudly about REAX and MEAM going away soon
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2018-09-18 22:13:17 -04:00 |
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c2758a0b55
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Merge pull request #1126 from lammps/patch-18-sep-2018
patch 18Sep18
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2018-09-18 21:50:30 -04:00 |
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4bfac61b1a
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fix typo in gzip support for fix reax/bonds
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2018-09-18 17:41:02 -04:00 |
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8dff5fd5d7
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patch 18Sep18
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2018-09-18 17:24:10 -04:00 |
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e9ed95c2db
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Merge pull request #1108 from akohlmey/fix-sprintf-buffer-overflows
Avoid more buffer overflows due to using snprintf() on fixed size buffers
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2018-09-18 16:57:10 -04:00 |
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d753c51c45
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The sna*/atom computes were not destroying SNA objects. Fixed.
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2018-09-17 19:44:32 -06:00 |
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0c287a55cd
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Merge pull request #1092 from RomainVermorel/master
New stress/mop and stress/mop/profile computes for USER-MISC
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2018-09-17 05:16:42 -04:00 |
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7054800932
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Merge branch 'master' into master
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2018-09-12 22:13:43 +03:00 |
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83b6d6ae96
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small modifications of potential #839
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2018-09-12 17:47:16 +03:00 |
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6ae4bdead5
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Merge pull request #1089 from lammps/spread
2 new computes: chunk/spread/atom and reduce/chunk
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2018-09-11 21:21:02 -04:00 |
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1f5885fc45
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Merge pull request #1099 from jrgissing/bond/react-efficient-competing_reactions
bond/react: efficient competing reactions
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2018-09-11 21:18:41 -04:00 |
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92b508f14c
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Merge pull request #1097 from lammps/localvars
add variable option to compute bond/angle/dihedral local
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2018-09-11 21:18:15 -04:00 |
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b7c75b6c4e
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Added compute for Polyhedral Template Matching
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2018-09-11 16:41:44 -04:00 |
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0305cca1df
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make certain that *_freq flags are initialized. use -1 instead of 0 to avoid division by zero
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2018-09-10 22:47:45 -04:00 |
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3d2c731709
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avoid class initialization order warnings
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2018-09-10 22:32:56 -04:00 |
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a33f45f176
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Merge pull request #1112 from akohlmey/rename-cdeam-omp
Rename files for pair style eam/cd/omp in USER-OMP
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2018-09-10 15:16:10 -04:00 |
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2faa34b2be
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Merge pull request #1105 from rbberger/truncate-file-path
Avoid buffer overflow during errors with long filenames
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2018-09-09 01:30:14 -04:00 |
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e325c78628
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Merge pull request #1101 from Pakketeretet2/bugfix-pair-morse-smooth-linear
Bugfix pair morse smooth linear
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2018-09-07 23:38:16 -04:00 |
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aea148a86a
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Merge pull request #1100 from rbberger/info-command-refactoring
Avoid unnecessary sorting in print_columns
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2018-09-06 22:55:56 -04:00 |
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947f574503
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Merge branch 'master' into compute_mop
# Conflicts:
# cmake/CMakeLists.txt
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2018-09-06 21:13:42 -04:00 |
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b915716b60
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fix inconsistency resulting from error in auto-replace macro
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2018-09-06 12:27:10 -04:00 |
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b3079f3aec
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rename files and classes for pair style eam/cd/omp to follow the rename of the non-threaded classes
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2018-09-06 12:07:25 -04:00 |
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84657f1531
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final pass at sprintf() buffer overflow prevention. also fix typo in previous commit
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2018-09-06 12:00:04 -04:00 |
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