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4f026b9b38
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remove trailing whitespace
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2019-04-05 06:14:10 -04:00 |
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76dfcc1dfd
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Merge branch 'mc-bigbig-fix' of https://github.com/rtoijala/lammps into collected-small-changes
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2019-04-05 06:07:54 -04:00 |
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9543335613
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Merge branch 'master' into collected-small-changes
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2019-04-05 06:05:22 -04:00 |
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f4159ff592
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implement different -DLAMMPS_BIGBIG workaround without breaking format
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2019-04-05 05:53:19 -04:00 |
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e359e80118
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fix bug reported in issue #1410
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2019-04-04 22:39:58 -04:00 |
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dbbf198edb
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more accurate matching of styles using utils::strmatch()
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2019-04-04 17:10:27 -04:00 |
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df94e80bb1
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silence compiler warnings
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2019-04-04 16:52:08 -04:00 |
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4003387fb1
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dead code removal
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2019-04-04 16:51:59 -04:00 |
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ab5c3b0386
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protect against possible buffer overflow
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2019-04-04 16:51:37 -04:00 |
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78bab6ee39
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make format macros in USER-REAXC compatible with -DLAMMPS_BIGBIG
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2019-04-04 16:36:57 -04:00 |
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c52a330a79
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update USER-PLUMED support for version 2.5.1 and fix bug in Install.py script
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2019-04-04 14:19:53 -04:00 |
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265ad4512d
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add sanity check on plumed pre-installed path location
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2019-04-04 13:18:27 -04:00 |
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605524ab66
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Merge pull request #1406 from akohlmey/fix-some-64-bit-integer-issues
Fix some 64 bit integer issues
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2019-04-04 12:47:34 -04:00 |
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968ac3d8d7
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Merge pull request #1367 from mkanski/reax_better_errors
Removing calls to MPI_Abort from reax/c + a fix for a memory leak
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2019-04-04 12:47:02 -04:00 |
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81dd96f970
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print more meaningful error message when trying to access individual data from a local array produced by a compute */local
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2019-04-04 12:42:54 -04:00 |
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50427ce05d
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flag intended fallthrough cases for GNU compilers
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2019-04-04 09:38:53 -04:00 |
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a9c376f20d
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use tagint instead of int when communicating atom ids
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2019-04-04 09:38:28 -04:00 |
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88d160f86e
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avoid segfault in Special::angle_trim() if only angles or only dihedrals are defined
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2019-04-04 09:13:18 -04:00 |
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8c03f51020
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fix 32-bit/64-bit overflow issue in expression
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2019-04-04 09:01:39 -04:00 |
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2aa7a150b4
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USER-SMD: Use TAGINT_FORMAT where appropriate
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2019-04-04 15:53:00 +03:00 |
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6679469220
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USER-MANIFOLD: Use TAGINT_FORMAT where appropriate
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2019-04-04 15:52:57 +03:00 |
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da77dde04d
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MC/fix_bond_break: Use TAGINT_FORMAT where appropriate
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2019-04-04 14:51:40 +03:00 |
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6ff1fee6d6
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more simplifications
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2019-04-04 09:54:39 +02:00 |
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619c2322e5
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Merge remote-tracking branch 'upstream/master' into fix-elstop
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2019-04-04 10:03:36 +03:00 |
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0d78c7b43d
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fix elstop: Rename to fix electron/stopping
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2019-04-04 09:57:15 +03:00 |
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8820467a8b
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fix wrong column size assignment bug when using optional arguments in some local computes
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2019-04-03 15:15:40 -04:00 |
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d4a495151e
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Simplify access to error in reax/c/omp
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2019-04-03 19:40:40 +02:00 |
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e45e92b1cb
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Commit JT 040319
- improved examples
- start rework gneb init. (Rodrigues' formula)
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2019-04-03 11:24:37 -06:00 |
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501558743b
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Merge with current master
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2019-04-03 19:17:15 +02:00 |
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d7a5bf4e16
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Repair last commit
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2019-04-03 18:52:14 +02:00 |
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1a105253c1
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Check the MPI rank differently
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2019-04-03 18:24:38 +02:00 |
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f2f49e60bf
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Make some errors more elaborate + change some error->all to error->one
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2019-04-03 18:12:12 +02:00 |
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f73ccc3025
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Merge pull request #1402 from akohlmey/collected-small-changes
Collected changes for improving CI testing, CMake, and coding convention compliance
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2019-04-03 10:51:40 -04:00 |
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1696432e82
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resolve conflict between src/STUBS/mpi.h and lib/message/cslib/src/STUBS_MPI/mpi.h
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2019-04-03 01:00:53 -04:00 |
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7372e8fde1
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must add STUBS_MPI to cslib includes when compiling without MPI
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2019-04-03 00:41:03 -04:00 |
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f17aff6331
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add some missing entries to src/USER-MISC/README
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2019-04-03 00:24:36 -04:00 |
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537704fdaa
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eliminate the use of the "using" keyword in headers of the KOKKOS package
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2019-04-03 00:13:52 -04:00 |
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52a13f31b3
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remove "using namespace" from header
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2019-04-03 00:04:12 -04:00 |
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f02b364e6e
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remove "using namespace" from header and include required header
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2019-04-03 00:03:34 -04:00 |
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40f1662c93
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reduce compiler warnings
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2019-04-02 23:44:00 -04:00 |
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6cb120d691
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get rid of "using" in USER-REAXC header
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2019-04-02 23:20:53 -04:00 |
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a149fdb420
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forgot MESSAGE package in all_on/off.cmake preset
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2019-04-02 23:19:37 -04:00 |
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b1070f4703
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must add USER-SCAFACOS to nolib.cmake preset, as it requires GSL
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2019-04-02 23:10:59 -04:00 |
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778537e734
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update micelle example for improved reproducibility
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2019-04-02 22:32:15 -04:00 |
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921d3dadf8
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Merge pull request #1400 from akohlmey/collected-small-changes
Refactor USER-INTEL support in CMake and support Linux-2-Windows cross-compiling with CMake
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2019-04-02 17:48:21 -04:00 |
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bd923d8bd4
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fix second typo in the same word. i need a break... :-(
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2019-04-02 17:33:35 -04:00 |
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6411ff8359
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transfer MPI/OpenMP selection from LAMMPS to downloaded Plumed library configuration
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2019-04-02 17:25:26 -04:00 |
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4a003644fe
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fix typo
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2019-04-02 16:41:02 -04:00 |
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365166fef0
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print warning messages about calls to self only once
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2019-04-02 16:01:42 -04:00 |
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34b023456b
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add message about -DLAMMPS_BIGBIG incompatibility of scatter/gather functions
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2019-04-02 15:28:48 -04:00 |
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