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a3fd7345a7
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Merge branch 'master' into next_patch_version
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2020-01-08 17:20:36 -05:00 |
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18a0cd3ead
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Merge pull request #1817 from akohlmey/collected-small-fixes
Collected small bugfixes and updates
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2020-01-08 17:16:34 -05:00 |
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d3eed9dba4
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Merge pull request #1752 from ndtrung81/gpu-mem-leak-init
Fixed bugs with kernel (re)compiling when the global device got clear and reinitialized
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2020-01-08 16:17:13 -05:00 |
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2d71d9d47b
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add citation for GPU accelerated TIP4P style
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2020-01-08 16:15:18 -05:00 |
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6e2c3b7ce9
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Merge branch 'master' into collected-small-fixes
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2020-01-08 16:14:19 -05:00 |
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481c647889
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Merge pull request #1776 from Vsevak/tip4p_gpu
GPU support for lj/cut/tip4p/long pair style
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2020-01-08 15:35:39 -05:00 |
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9e3364ed39
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no need to flag ibody as private
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2020-01-08 15:13:34 -05:00 |
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7051c941e5
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Merge branch 'master' into collected-small-fixes
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2020-01-08 15:05:03 -05:00 |
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c5768acbbc
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Merge pull request #1801 from lammps/rigid-gravity
enable fix rigid commands to add gravity to COM of rigid bodies
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2020-01-08 14:47:03 -05:00 |
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e243ca92b0
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step version string for next patch release
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2020-01-08 14:31:08 -05:00 |
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00dce6b198
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Merge branch 'master' into gpu-mem-leak-init
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2020-01-08 14:26:03 -05:00 |
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97a798c776
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Merge pull request #1824 from tabedzki2/patch-1
Updated Makefile.stampede: replacement options icc
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2020-01-08 10:59:31 -05:00 |
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1cd6d302bb
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Merge pull request #1823 from dsbolin/rigid-gravity
Adds an example using new options in fix rigid and fix gravity
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2020-01-08 09:15:55 -05:00 |
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f1a23b1ea2
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Updated Makefile.stampede: replacement options icc
The default options for Makefile.stampede did not compile. They had to be updated to include the `q` replacement options.
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2020-01-07 21:47:43 -05:00 |
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e8a941a0b9
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Remove unnecessary data transfer from tip4p/gpu pairstyle init
Such data transfer is performed at each timestep, so it does not belong to the initialization
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2020-01-08 01:48:47 +03:00 |
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8cc8c2793b
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Merge pull request #1819 from jotelha/master
Find parallel NetCDF with cmake for USER-NETCDF
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2020-01-07 16:39:35 -05:00 |
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23b73a0ebc
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plug small memory leak
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2020-01-07 15:32:44 -05:00 |
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f8ad7cc90f
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refactor fix for detecting intel pair styles in hybrid pair styles
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2020-01-07 15:09:50 -05:00 |
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4c974c6d5e
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avoid uninitialized memory access when used with hybrid styles
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2020-01-07 11:14:22 -05:00 |
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7470a120bb
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fix small memory leak in USER-INTEL binning style
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2020-01-07 11:13:43 -05:00 |
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46584d4520
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Update cmake/Modules/FindPNetCDF.cmake
Co-Authored-By: Christoph Junghans <christoph.junghans@gmail.com>
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2020-01-07 13:26:01 +01:00 |
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24ef36dd4d
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Update cmake/Modules/FindPNetCDF.cmake
Co-Authored-By: Christoph Junghans <christoph.junghans@gmail.com>
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2020-01-07 13:25:54 +01:00 |
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7bc8c8e9d8
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Minor tweaks to in.rigid.gravity example
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2020-01-06 21:26:34 -07:00 |
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6aa4f4caf6
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Added example script and input data file showing benefits of new fix gravity and fix rigid options
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2020-01-06 21:18:00 -07:00 |
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66a473455e
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silence warnings from generic OpenCL header files (as seen on Fedora 31)
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2020-01-06 17:34:26 -05:00 |
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8ac2da792c
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fix typo in fix ave/atom docs
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2020-01-06 16:18:23 -05:00 |
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0dda120ef8
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Merge pull request #1800 from jibril-b-coulibaly/patch-1
Correct typo in pair_granular.rst
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2020-01-06 15:35:36 -05:00 |
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5500198b4e
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correct whitespace issue in dynamical_matrix.cpp
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2020-01-06 15:21:18 -05:00 |
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394e5459b6
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correct whitespace issues in pair_meamc.cpp
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2020-01-06 15:16:08 -05:00 |
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fbc0b8a881
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Merge branch 'master' into collected-small-fixes
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2020-01-06 15:14:48 -05:00 |
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00dfde2952
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Merge pull request #1783 from ares201005/fix_dynmat
add force modifications in dynamical_matrix.cpp
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2020-01-06 15:08:35 -05:00 |
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1be8109618
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Merge pull request #1798 from martok/meamc-dec19
Collected MEAM/C additions
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2020-01-06 15:07:08 -05:00 |
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a63792a07a
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need to explicitly run pair_init_check() inside kspace_init_check() for hybrid styles
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2020-01-03 01:40:20 -05:00 |
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2f6018b099
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use regex pattern matching to make style lookup more specific with less code
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2020-01-03 01:39:35 -05:00 |
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e11374d433
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print intel package status message only once per run
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2020-01-03 01:37:12 -05:00 |
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337b0fd649
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Fix 'sametag' transfer
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2019-12-22 20:20:12 +03:00 |
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3f24144abd
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Update cmake/Modules/FindPNetCDF.cmake
Co-Authored-By: Christoph Junghans <christoph.junghans@gmail.com>
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2019-12-22 13:25:24 +01:00 |
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0c7d6a01e8
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Update cmake/Modules/FindNetCDF.cmake
Co-Authored-By: Christoph Junghans <christoph.junghans@gmail.com>
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2019-12-22 13:25:08 +01:00 |
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4e7bcee8e3
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Update cmake/Modules/FindNetCDF.cmake
Co-Authored-By: Christoph Junghans <christoph.junghans@gmail.com>
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2019-12-22 13:24:34 +01:00 |
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a72f53e367
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add stan/steve as code owners for minimizer changes
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2019-12-21 16:18:26 -05:00 |
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a88a00dbbb
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remove trailing whitespace
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2019-12-20 15:08:51 -05:00 |
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3b76ab56f0
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port gravity changes to rigid fixes to USER-OMP package versions
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2019-12-20 12:09:50 -05:00 |
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c8a53d560a
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Find parallel NetCDF with cmake for USER-NETCDF
Conflicts:
cmake/presets/forhlr2-gnu.cmake
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2019-12-20 17:59:05 +01:00 |
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21f454c040
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correct truncated AlCu.bop.table potential file from Xiaoweng Zhou
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2019-12-20 03:48:08 -05:00 |
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a11b886b5c
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add warning if gravity is used incorrectly with overlapped rigid bodies
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2019-12-19 16:17:14 -07:00 |
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402f5585ff
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Merge pull request #1795 from jrgissing/bond/react-chiral_centers
Bond/react chiral centers
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2019-12-19 16:13:32 -05:00 |
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5a2074cc5a
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Merge pull request #1816 from stanmoore1/kk_min_fix
Fix issue in Kokkos minimize
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2019-12-19 16:12:53 -05:00 |
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8283e68cdd
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Merge pull request #1807 from ndtrung81/gpu-readme-update
Updates to README and Makefile's in the GPU package
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2019-12-19 14:59:12 -05:00 |
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27180e0b22
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Merge pull request #1812 from ohenrich/user-cgdna
USER-CGDNA: Added oxRNA2 files to .gitignore
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2019-12-19 14:58:56 -05:00 |
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6192741f79
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Merge pull request #1813 from wmbrownIntel/user-intel-tri-fix
Bug fix for USER-INTEL package with triclinic neighbor builds.
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2019-12-19 14:58:40 -05:00 |
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