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a1188c035b
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Merge branch 'master' of https://github.com/charlessievers/lammps into fix_numerical_differentiation
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2020-03-10 16:14:20 -06:00 |
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7dafec1700
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Removed misleading doc information and included errors
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2020-03-10 16:12:02 -06:00 |
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b9ff623c16
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Merge pull request #1920 from jguenole/fire-debug
fire bug fix to avoid crashes due to lost atoms
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2020-03-10 15:08:58 -04:00 |
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7b7ca000b3
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Merge pull request #1922 from weinbe2/snap-scratch
SNAP optimizations - hierarchical parallelism, scratch memory, data layout transformations
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2020-03-10 15:07:46 -04:00 |
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9d7b15631d
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Add contributing author
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2020-03-10 09:20:54 -06:00 |
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4e31d622ce
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Whitespace and comment cleanup
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2020-03-10 09:11:29 -06:00 |
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903e33d86e
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Added atom map into example, enforce atom map added to fix_numdiff, added error statement to fix_numdiff.h
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2020-03-09 10:33:04 -06:00 |
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3be6347ad4
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Merge pull request #1924 from akohlmey/rename-user-meso
Rename USER-MESO package to USER-MESODPD
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2020-03-09 10:53:22 -04:00 |
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740717d114
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add false positives
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2020-03-09 10:00:14 -04:00 |
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a6086c279b
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rename USER-MESO package to USER-MESODPD and update related files and folders
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2020-03-09 09:48:49 -04:00 |
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ddc36973f0
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final reference info
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2020-03-06 14:55:52 +01:00 |
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bc8fa088be
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Merge pull request #1822 from jrgissing/bond/react-new-examples-and-package
Bond/react: new examples and repackage
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2020-03-05 22:49:53 -05:00 |
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21f2ec3a25
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Merge branch 'master' into bond/react-new-examples-and-package
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2020-03-05 20:08:19 -07:00 |
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1fb54c307c
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Merge pull request #1918 from akohlmey/collected-small-fixes
Collected small fixes for the next patch
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2020-03-05 15:16:50 -05:00 |
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54a37aa4ef
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fix spelling issue
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2020-03-05 14:43:22 -05:00 |
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0fba0b1bc1
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handle empty build type
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2020-03-05 14:39:40 -05:00 |
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5a3a5d86d4
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reduce compiler warnings and avoid clash with KOKKOS
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2020-03-05 14:27:33 -05:00 |
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606eaf61f7
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Merge branch 'master' into fix_numerical_differentiation
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2020-03-05 09:58:50 -07:00 |
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36ec95c2f5
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fixed typo in numdiff example input
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2020-03-05 09:55:25 -07:00 |
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fb3a8f5bb1
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Merge pull request #1909 from giacomofiorin/colvars-update
Update Colvars to version 2020-02-27
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2020-03-05 10:18:01 -05:00 |
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b0c6641f1b
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tweak compiler flags for Intel and GNU
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2020-03-05 10:16:38 -05:00 |
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1642bf5afc
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always skip deprecated C++ MPI interface
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2020-03-05 10:16:21 -05:00 |
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2e8aeaef46
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remove mentioning external tex files from contribution guide
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2020-03-05 09:21:01 -05:00 |
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d0160cc208
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Merge pull request #1915 from akohlmey/cpp-11-cmake-3.10
Require C++11 and CMake 3.10
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2020-03-05 09:14:46 -05:00 |
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1ee67c20d9
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comments
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2020-03-05 11:57:01 +01:00 |
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ca89c460bf
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remove space
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2020-03-05 11:49:02 +01:00 |
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022dd4a4e4
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special v evaluation to limite dtv each time v is zeroed
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2020-03-05 11:39:48 +01:00 |
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27fdbfa8a1
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minor modification of halfstepback with correct dt
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2020-03-05 10:49:39 +01:00 |
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ae045e4445
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indented note block in fix_num_diff.rst
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2020-03-04 19:48:12 -07:00 |
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02bdccbae1
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added yyy to false positives
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2020-03-04 19:45:13 -07:00 |
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be138d368e
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Merge branch 'master' into fix_numerical_differentiation
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2020-03-04 19:11:39 -07:00 |
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968f44601c
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Updated doc page with delta info and simplified example
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2020-03-04 19:08:57 -07:00 |
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6786efa224
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Merge commit 'refs/pull/1916/head' of github.com:lammps/lammps into collected-small-fixes
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2020-03-04 17:04:45 -05:00 |
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14d17b3513
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clean the superfluous newline
I believe this newline in the document is superfluous.
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2020-03-04 16:41:27 -05:00 |
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ec87a51a61
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put C++11 compliance check into CMake
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2020-03-04 14:52:38 -05:00 |
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7bbf070757
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document new C++ and CMake requirements in manual
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2020-03-04 14:37:51 -05:00 |
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ab51ae854e
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require C++11 to compile LAMMPS
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2020-03-04 14:28:47 -05:00 |
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a972850b39
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require CMake version 3.10. remove tests for older versions.
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2020-03-04 14:28:33 -05:00 |
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e9544218e6
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some corrections to the building the manual documentation
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2020-03-04 14:14:12 -05:00 |
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3ca93f10b3
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don't run atof() on a NULL pointer in case a potential file has an empty line
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2020-03-04 14:00:52 -05:00 |
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cd61cfe8c7
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SNAP optimizations, taking advantage of improved data layouts, scratch memory, and hierarchical parallelism.
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2020-03-03 13:02:04 -05:00 |
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6354777d09
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Merge pull request #1914 from akohlmey/next_lammps_version
Step version string for next patch and stable version
patch_3Mar2020
stable_3Mar2020
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2020-03-03 10:27:12 -05:00 |
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3eeb7547b5
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step version string for next patch and stable version
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2020-03-03 07:25:18 -05:00 |
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c5ee78ca1d
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Merge pull request #1910 from akohlmey/documentation-fixes
Some more conversions and corrections for the LAMMPS manual
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2020-03-03 06:25:44 -05:00 |
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7d598ba8d7
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synchronize list of hardware architectures supported by KOKKOS with list in cmake file
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2020-03-03 03:33:23 -05:00 |
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7f84de17bd
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Merge pull request #1912 from migueldiascosta/epyc_kokkos_arch
add EPYC to KOKKOS_ARCH_LIST
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2020-03-03 03:32:03 -05:00 |
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a4a5d24a69
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add link to github support for subversion clients
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2020-03-03 03:19:25 -05:00 |
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0723bf3db7
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setup issues with fix numdiff
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2020-03-02 13:32:05 -07:00 |
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8f608f6a35
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lo-level -> low-level
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2020-03-01 10:30:06 -05:00 |
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ff614957c6
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encode some more mathematical expressions and symbols
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2020-03-01 09:25:20 -05:00 |
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