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f36a84bdd3
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add CMake support for fetching external potential files
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2020-06-10 12:29:48 -04:00 |
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20a9794b92
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fix permissions
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2020-06-10 11:26:08 -04:00 |
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72ce9dfacb
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add feature to transparently fetch external potential files when a package is installed
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2020-06-10 11:25:59 -04:00 |
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d436550d63
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remove too big C_10_10.mesocnt potential
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2020-06-10 09:56:47 -04:00 |
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0b7f58e674
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Merge pull request #2137 from jtclemm/ptemp
Adding new ptemp keyword to fix/nh
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2020-06-09 19:01:30 -04:00 |
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2f5a8d0937
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remove trailing whitespace
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2020-06-09 17:28:26 -04:00 |
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3ea39f5a23
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Update fix_nh.rst
Removed mbox commands
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2020-06-09 14:58:25 -06:00 |
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833ebeb0a0
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remove \mbox{} macros which are incompatible with make pdf
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2020-06-09 16:42:26 -04:00 |
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c3831f8971
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Merge pull request #2126 from vmohles/add-ECO-DF
Add fix orient/eco to USER-MISC
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2020-06-09 16:41:07 -04:00 |
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32984cb8c4
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add reference to LAMMPS slack
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2020-06-09 16:06:47 -04:00 |
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1221906ed9
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fix whitespace issues
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2020-06-09 15:14:49 -04:00 |
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ecc142229d
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update outputs again
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2020-06-09 15:09:45 -04:00 |
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fa07f64b81
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add missing linefeed
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2020-06-09 15:06:13 -04:00 |
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999ed36e6a
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update log files for new version
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2020-06-09 15:04:53 -04:00 |
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bb5b931d78
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Merge remote-tracking branch 'github/master' into add-ECO-DF
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2020-06-09 14:55:40 -04:00 |
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89fb194f51
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update to fix orient/eco from the authors
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2020-06-09 14:55:31 -04:00 |
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719936580a
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Merge pull request #2135 from akohlmey/cmake-legacy-gpu-conflict
Handle conflict between conventional build and CMake build in lib/gpu
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2020-06-09 14:26:42 -04:00 |
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4c6c4ac405
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Update fix_nh.rst
Adding linebreaks for legibility
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2020-06-09 12:20:21 -06:00 |
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e47d48eed8
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Change output message and use list(APPEND)
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2020-06-09 12:10:35 -04:00 |
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954f728225
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Always set CMAKE_LIBRARY_PATH if environment variable LIBRARY_PATH is set
This resolves issues such as CUDA_CUDA_LIBRARY NOTFOUND if LIBRARY_PATH is
set to the CUDA stubs folder, but ignored by CMake.
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2020-06-09 11:30:54 -04:00 |
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2010cf97a9
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add documentation for the cubin header check and explain the reason
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2020-06-09 07:41:18 -04:00 |
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78f030a07a
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test for *cubin.h files in lib/gpu that conflict with cmake compilation
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2020-06-09 07:32:49 -04:00 |
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e641671da9
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Merge pull request #2132 from akohlmey/collected-bugfixes-and-updates
Collected bugfixes and updates
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2020-06-08 19:55:34 -04:00 |
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3b1219f0f5
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Merge pull request #2133 from ThFriedrich/master
Added missing and correct a few existing "Syntax" and "Examples" labels in docs
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2020-06-08 19:20:32 -04:00 |
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016629252d
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a few more tweaks needed for centos8 and fedora32
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2020-06-08 19:18:01 -04:00 |
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ac85071bc4
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need one more step with ubuntu to allow enabling PPA repos
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2020-06-08 16:08:03 -04:00 |
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2668e3deb6
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add manual installation of plumed library
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2020-06-08 14:39:34 -04:00 |
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8b154cfbf6
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must not set *any* communicators in plumed lib when using MPI_STUBS
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2020-06-08 10:38:20 -04:00 |
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7512cd3518
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Merge branch 'master' of github.com:ThFriedrich/lammps into collected-bugfixes-and-updates
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2020-06-08 09:48:21 -04:00 |
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ee5e479343
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make sure that when unpacking the Nbr struct you convert the index back to the closest image relative to the center atom
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2020-06-08 09:33:21 -04:00 |
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2e9859bacf
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don't request neighbors of ghosts
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2020-06-08 09:29:32 -04:00 |
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c90f303a7a
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structs are all public by default
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2020-06-08 09:28:43 -04:00 |
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942a9e936d
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remove changes to upstream
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2020-06-08 09:28:22 -04:00 |
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d106ed8981
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add missing pair_style command to commands overview
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2020-06-08 01:49:16 -04:00 |
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99fcf21a74
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Fix "Example" Tag formatting
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2020-06-08 04:21:24 +02:00 |
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448bccd138
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tweak test epsilons so they pass with -DLAMMPS_BIGBIG
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2020-06-07 22:20:46 -04:00 |
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e5f937388a
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fix bugs with reading restart files when using -DLAMMPS_BIGBIG
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2020-06-07 22:14:51 -04:00 |
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864103f93e
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fix cut-n-paste bug that crashed LAMMPS on reading molecular data files with -DLAMMPS_BIGBIG
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2020-06-07 21:35:06 -04:00 |
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f9cdf0913c
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Fix Formatting of "Examples" Label
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2020-06-07 23:27:02 +02:00 |
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def387c21e
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Added missing "Syntax" label
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2020-06-07 23:01:48 +02:00 |
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a9d1932032
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update singularity definition files to include kim-api packages
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2020-06-07 16:11:26 -04:00 |
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dd746f7695
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whitespace
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2020-06-07 15:59:50 -04:00 |
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bbb6f408be
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fix syntax issue
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2020-06-07 15:56:18 -04:00 |
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4da8ff3d21
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avoid division by zero
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2020-06-07 15:47:46 -04:00 |
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fc1be785fc
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port bugfix from fix qtb to fix qbmsst and some output simplification
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2020-06-07 15:33:32 -04:00 |
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5c1236084c
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correctly compute the size of the maxexchange buffer. we put all fixes into one buffer.
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2020-06-07 14:37:20 -04:00 |
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db9543ede2
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use more common coding patterns, set maxexchange, use correct argument conversion functions
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2020-06-07 14:36:41 -04:00 |
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cee7cd5fe9
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consolidate enumerator for per-atom array data types
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2020-06-07 11:44:42 -04:00 |
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edc7237f15
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more thorough checking if the reaxff force field is consistent.
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2020-06-07 10:46:50 -04:00 |
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586f2c00b0
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add missing linefeed character
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2020-06-07 10:13:35 -04:00 |
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