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723b9e6760
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Try to keep compatibility with deprecated ROCm hcc compiler
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2020-06-20 15:17:54 +03:00 |
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8eed1b27ff
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GPU Makefile cleanup
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2020-06-19 00:07:10 +03:00 |
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2ea5d9956a
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find_package is unnecessary for rocprim
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2020-06-19 00:01:03 +03:00 |
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f75b8e1688
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Fix Makefile for GPU ROCm 3.5 backend
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2020-06-18 00:33:46 +03:00 |
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d3baa414d2
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Fix cmake for GPU ROCm 3.5 backend
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2020-06-17 23:33:16 +03:00 |
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a7967f8b3f
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Merge remote-tracking branch 'origin/master'
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2020-06-17 23:31:06 +03:00 |
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7a00ec90e5
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Merge pull request #2134 from akohlmey/next_lammps_version
Update version strings for next patch release
patch_15Jun2020
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2020-06-15 18:20:17 -04:00 |
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a598a66eda
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Merge pull request #2157 from akohlmey/use-clang-format-demo
Demonstrate use of clang-format in LAMMPS
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2020-06-15 17:55:42 -04:00 |
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30100d33c6
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get rid of tabs and trailing whitespace
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2020-06-15 17:37:45 -04:00 |
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3abbf57146
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remove executable permissions on files that should not have them
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2020-06-15 17:34:21 -04:00 |
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fd8cfed86d
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fix typo
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2020-06-15 17:33:50 -04:00 |
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05319cae66
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updates for using {fmt} and reordering of include statements exposing hidden includes
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2020-06-15 16:55:38 -04:00 |
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05d1924d62
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update for using {fmt}
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2020-06-15 16:48:20 -04:00 |
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14c22a004a
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Merge branch 'master' into use-clang-format-demo
# Conflicts:
# unittest/force-styles/pair_style.cpp
# unittest/utils/test_utils.cpp
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2020-06-15 16:14:13 -04:00 |
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4a3d9afb54
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Merge pull request #2154 from rbberger/coding_standard
Add utilities for checking code
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2020-06-15 15:32:35 -04:00 |
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65ff6bb617
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Require clang-format >= 8.0
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2020-06-15 14:59:43 -04:00 |
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c987dfb2c9
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Merge pull request #2156 from akohlmey/collected-small-changes
Collected changes for the next patch release
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2020-06-15 14:40:27 -04:00 |
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e083416dd8
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Merge pull request #2159 from akohlmey/potential-unit-tag
Add a units consistency check by adding a UNITS: tag to potential files.
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2020-06-15 13:55:20 -04:00 |
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0ca7270668
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re-enable USER-MESONT package for MinGW cross compilation
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2020-06-15 13:47:16 -04:00 |
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0199e369fa
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work around race condition and minimizing download attemps for transparently downloaded potential files
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2020-06-15 13:46:54 -04:00 |
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868e5450db
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Merge branch 'patch-1' of github.com:cjknight/lammps into collected-small-changes
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2020-06-15 12:13:25 -04:00 |
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9aee8d41bd
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Merge branch 'master' into collected-small-changes
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2020-06-15 12:12:45 -04:00 |
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71c075e0e4
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Update atom_vec_sph.cpp
Looks like one 'de' wasn't renamed to 'desph' in recent commit.
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2020-06-15 10:55:18 -05:00 |
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70e809895f
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Merge pull request #1873 from iafoss/feature-cnt
Tubular potential force field package for carbon nanotubes
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2020-06-15 11:41:56 -04:00 |
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622db7053e
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Merge remote-tracking branch 'origin/master'
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2020-06-15 18:38:40 +03:00 |
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419ebd74fe
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Merge pull request #2155 from akohlmey/gmake-makefile-improvements
Portability improvement for src/Makefile
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2020-06-15 11:35:11 -04:00 |
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e840fa23f1
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Add format-tests target
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2020-06-15 11:21:43 -04:00 |
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57eab1f785
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USER-MESONT fails to download with Win64 for some strange reason. disabling from mingw preset for now
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2020-06-15 11:12:55 -04:00 |
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b5ee87697a
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workaround for GNU Fortran 10 and later when compiling downloaded ScaFaCoS lib
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2020-06-15 10:59:32 -04:00 |
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12b379df36
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improve MEAM file detection in pair_coeff command, get rid of ERRFMT()
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2020-06-15 08:18:11 -04:00 |
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a7e2cc3320
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initialize _need_tag differently.
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2020-06-14 23:14:22 -04:00 |
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59dcf2d7f9
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make sure _need_tag in intel buffers is always initialized for all precision settings
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2020-06-14 21:40:29 -04:00 |
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b067880803
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update code owners
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2020-06-14 20:11:31 -04:00 |
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753e2b00cf
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potential file metadata may only be in the first line of a file.
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2020-06-14 19:59:17 -04:00 |
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b3a99f3165
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add and document new "download" preset
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2020-06-14 19:50:14 -04:00 |
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149571873f
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avoid illegal read after delete
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2020-06-14 19:35:09 -04:00 |
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2f5587da53
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use std::string.empty() instead of comparing to ""
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2020-06-14 17:25:20 -04:00 |
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2a25fe16e7
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fix delete[] vs. free() issue with pair styles eam/fs, eam/alloy, eim
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2020-06-14 17:23:42 -04:00 |
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7d9e0076c7
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update some test yaml files
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2020-06-14 17:01:28 -04:00 |
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8736565977
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document the use and generation of "DATE:" and "UNITS:" tags
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2020-06-14 14:41:04 -04:00 |
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5abfcde3f7
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make subheaders and typesetting more consistent
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2020-06-14 12:41:19 -04:00 |
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4042b836c2
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enable full c++11 in colvars, same as LAMMPS
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2020-06-14 12:18:51 -04:00 |
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b587500b19
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update false positives
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2020-06-14 11:56:24 -04:00 |
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083fe85b68
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import updates to the manual from the progguide branch
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2020-06-14 11:25:02 -04:00 |
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a8c0e8d30a
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FERMI GPU hardware is no longer supported by CUDA drivers and toolkit
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2020-06-14 11:05:29 -04:00 |
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3083306dbc
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remove obsolete inputs and logs
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2020-06-14 11:04:00 -04:00 |
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d2404cc88e
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replace more potentials with symlinks
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2020-06-14 11:02:41 -04:00 |
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78117205ce
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make He table potentials canonical and add UNITS: tag
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2020-06-14 10:46:56 -04:00 |
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21e34c5c76
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Merge branch 'small-typo' of github.com:aatxutegi/lammps into collected-small-changes
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2020-06-14 10:36:06 -04:00 |
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03bf678e70
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Small type at the Z rotation matrix member
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2020-06-14 16:02:50 +02:00 |
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