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3784df23f0
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use FFT_FFTW_THREADS consistently, add CUFFT to CMake, minor improvements
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2020-01-12 21:32:07 -05:00 |
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7cb36d1705
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Merge branch 'master' into fft
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2020-01-12 20:22:15 -05:00 |
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587fc9d962
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Merge pull request #1828 from lammps/post-patch-tweaks
minor omissions in recent patch release
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2020-01-11 21:00:09 -05:00 |
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b2c4385661
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clean up and correct fix style command overview
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2020-01-11 20:02:23 -05:00 |
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b4a87d79a0
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make anchors and file names for lj/switch3/coulgauss/long consistent
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2020-01-11 20:02:04 -05:00 |
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05b68d9e0d
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add missing pair style entries
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2020-01-11 19:43:29 -05:00 |
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019c70140f
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add and correct kspace style entries
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2020-01-11 19:43:18 -05:00 |
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7ea366b3ce
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fix formatting issue
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2020-01-11 19:42:40 -05:00 |
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ff7110028b
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make doc of pair style mm3/switch3/coulgauss/long consistent and complete
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2020-01-11 19:16:34 -05:00 |
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84a975439a
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clean up pair style command overview some
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2020-01-11 19:04:02 -05:00 |
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f713e9acc3
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add missing bond style
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2020-01-11 19:03:20 -05:00 |
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297d31ab8f
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clean up and update general command overview
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2020-01-11 19:02:49 -05:00 |
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7ebddb6088
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Merge pull request #1829 from lammps/rerun-example
added rerun example dir
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2020-01-11 18:49:40 -05:00 |
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0c1157362a
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Merge pull request #1830 from lammps/fix-bond-create-warn
add warning to fix bond/create
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2020-01-11 18:49:17 -05:00 |
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d7d1d57170
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remove outdated txt files
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2020-01-11 16:35:27 -05:00 |
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e1849232b8
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remove redundant lj/cut/tip4p/long/gpu entry and correct underline length
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2020-01-11 16:21:42 -05:00 |
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9c207bb751
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remove outdated .txt file for pair style meam/c
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2020-01-11 16:20:13 -05:00 |
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4f35682828
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list added example folder in manual
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2020-01-11 16:15:49 -05:00 |
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67b9fd10cc
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rename output files to correctly match the used version
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2020-01-11 16:12:58 -05:00 |
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cb8313d947
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document added warning for fix bond/create
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2020-01-11 16:08:37 -05:00 |
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8fa0700df1
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add warning to fix bond/create
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2020-01-10 16:49:09 -07:00 |
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d5192c1043
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added an example for recalculating the RDF at a longer cutoff via rerun
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2020-01-10 14:37:45 -07:00 |
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6e3559a6e7
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added rerun example dir
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2020-01-10 14:09:38 -07:00 |
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664227ff11
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one more tweak
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2020-01-09 17:41:02 -07:00 |
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d1222bd3c0
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minor omissions in recent patch release
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2020-01-09 17:38:50 -07:00 |
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7b8498fab6
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Merge pull request #1825 from akohlmey/next_patch_version
Step version string for next patch release
patch_9Jan2020
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2020-01-08 18:09:05 -05:00 |
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514271c984
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recover compilation with -DLAMMPS_BIGBIG and fix whitespace and formatting issues
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2020-01-08 17:57:54 -05:00 |
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c482a04f80
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fix whitespace issue
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2020-01-08 17:21:35 -05:00 |
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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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