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2eb07f7427
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add expansions of IDs and references to IDs
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2020-10-04 06:02:14 -04:00 |
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9dfb715296
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add support for variable names to id introspection in library interface
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2020-10-04 06:01:26 -04:00 |
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b1cc9949e4
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include added introspection into docs
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2020-10-03 23:38:22 -04:00 |
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1988e4c24c
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add introspection for various kinds of IDs
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2020-10-03 23:38:02 -04:00 |
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c5514c0a36
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windows portability fix
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2020-10-03 22:02:13 -04:00 |
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4e8feff52c
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add support for building the LAMMPS shell in CMake
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2020-10-03 22:01:57 -04:00 |
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acf53ff55e
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add a few more context aware matcher functions
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2020-10-03 12:26:40 -04:00 |
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a2f7aae6db
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add API to query group names
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2020-10-03 12:26:17 -04:00 |
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01c85a3032
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correct embedded docs
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2020-10-03 12:25:56 -04:00 |
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b231fa8a16
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add completion for force style names
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2020-10-03 11:32:56 -04:00 |
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22cbac0b01
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initial version of LAMMPS shell. without build system support (yet).
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2020-10-03 09:49:35 -04:00 |
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51d55aa036
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Merge pull request #2400 from akohlmey/code-analysis-fixes
A few more static code analysis fixes
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2020-10-01 18:32:50 -04:00 |
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2ea61b21f8
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fix small memory leaks
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2020-10-01 18:11:19 -04:00 |
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48c45767f9
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remove dead code
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2020-10-01 18:11:08 -04:00 |
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243a81e9d8
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must initialize eflag_atom and vflag_atom to zero in constructor
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2020-10-01 14:49:23 -04:00 |
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b94df09570
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Merge pull request #2398 from lammps/progguide-updates
Documentation updates plus a few small bugfixes
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2020-10-01 11:11:28 -04:00 |
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774ac8b2d9
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avoid overflow of per-local-atom computation
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2020-10-01 09:49:28 -04:00 |
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4a40a70870
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avoid overflow of timestep related computations
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2020-10-01 09:48:54 -04:00 |
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8c56f60939
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use bigint instead of int for timestep related variable functions to avoid overflows
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2020-10-01 09:35:45 -04:00 |
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ea3af3c2bc
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resolve delete/free() mismatch
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2020-10-01 09:34:38 -04:00 |
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9efcaf2d61
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update documentation for Windows installer
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2020-10-01 00:57:53 -04:00 |
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fb33a71720
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look for liblammps.dll in windows binary dir only if that directory exists
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2020-10-01 00:34:03 -04:00 |
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a79a7b2704
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fix typo reported on lammps-users
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2020-09-30 21:24:55 -04:00 |
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77fb2ee311
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add list of documented functions at the top of the C-Library doc pages
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2020-09-30 21:16:48 -04:00 |
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dc13a61b40
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fix spelling
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2020-09-30 20:00:53 -04:00 |
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a9b27caf17
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Merge branch 'master' into progguide-axel
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2020-09-30 19:57:20 -04:00 |
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38d954e038
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Update the text to mention returning the handle instead of passing it as an argument.
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2020-09-30 19:54:07 -04:00 |
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0d9a2808b4
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Merge branch 'progguide-updates' of github.com:lammps/lammps into progguide-axel
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2020-09-30 19:50:00 -04:00 |
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6928e79883
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Merge pull request #2395 from rbberger/collected-small-fixes
Fixes issues found via Static Code Analysis and from bug reports
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2020-09-30 19:23:52 -04:00 |
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4b71e1cbda
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initial library doc page edits
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2020-09-30 15:37:11 -06:00 |
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cbc529881c
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support hybrid atom styles in in fix propel/self
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2020-09-30 14:07:46 -04:00 |
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23279836c9
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Invalidate pointer after deallocation
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2020-09-30 09:10:40 -04:00 |
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d84300a3ac
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do not fail when looking for gzip or ffmpeg executables when cross compiling to windows
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2020-09-30 00:05:15 -04:00 |
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555fba1e4b
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add special case for windows installer package where the .dll file is in the bin folder
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2020-09-29 18:46:32 -04:00 |
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e4cfb91169
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discuss that USER-MESONT package potentials are not bundled and provide URL
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2020-09-29 16:57:19 -04:00 |
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0ed935ab76
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silence compiler warning on windows
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2020-09-29 11:19:12 -04:00 |
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54c4b95c4d
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small format tweak
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2020-09-28 14:09:03 -04:00 |
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e0e4e516fc
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Merge pull request #2396 from akohlmey/openmp-compat-auto
Autodetect OpenMP compatibility setting for known compiler signatures
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2020-09-28 13:14:13 -04:00 |
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25bda86ad0
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fix typo
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2020-09-28 12:52:32 -04:00 |
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d8b55ecd65
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Merge pull request #2397 from akohlmey/remove-cilk-array-notation
Remove specializations using cilk array notation from USER-INTEL
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2020-09-28 11:56:02 -04:00 |
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405c1b98c5
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remove inactive code and documentation for dump image persp option
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2020-09-28 08:19:26 -04:00 |
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d868271b01
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remove unneeded escapes from input examples
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2020-09-28 07:52:38 -04:00 |
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407f445753
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remove specializations using cilk array notation
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2020-09-28 07:32:11 -04:00 |
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c626208c80
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avoid failure with Intel compilers
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2020-09-27 19:05:58 -04:00 |
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9d39587d37
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expand c-library properties example
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2020-09-27 19:05:40 -04:00 |
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fdbdd26585
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include intel fortran compiler into intel cmake preset
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2020-09-26 22:30:21 -04:00 |
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b11b420b08
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small doc update for singularity
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2020-09-26 22:30:05 -04:00 |
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d23f7d14c9
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typo
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2020-09-25 22:20:31 -04:00 |
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7e68746ebe
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use safe reader function
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2020-09-25 22:16:19 -04:00 |
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adef7d4e18
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need to check for nthreads < 1 only if OpenMP is enabled
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2020-09-25 22:14:21 -04:00 |
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