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f15dc4a0a8
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add more details and derived class to the class diagram and use a different layout engine
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2020-10-15 12:00:10 -04:00 |
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bc16709150
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tweak
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2020-10-14 23:59:06 -04:00 |
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dc8e6bc5ab
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mention example using the new Fortran module in examples/COUPLE/simple
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2020-10-14 23:29:03 -04:00 |
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88644caaec
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update header texts
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2020-10-14 23:28:28 -04:00 |
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937f8b3f61
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reorder sections in developer guide
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2020-10-14 22:57:41 -04:00 |
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d41cce7660
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update LAMMPS class diagram
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2020-10-14 22:57:21 -04:00 |
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a7a4ea76a2
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update LAMMPS logo with raytraced version
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2020-10-14 22:57:02 -04:00 |
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89842fc7c4
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Merge pull request #2418 from akohlmey/collected-small-changes
Collected small changes and bugfixes for the stable release
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2020-10-14 17:45:10 -04:00 |
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28641bcbc7
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Merge pull request #2402 from ndtrung81/gpu-dpd
Allowed dpd/tstat/gpu and dpd/gpu to work together in pair style hybrid
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2020-10-14 17:18:02 -04:00 |
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61c33e5622
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update documentation conventions for recent changes to the manual.
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2020-10-14 17:01:58 -04:00 |
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3926cbe5f0
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Merge branch 'patch-3' of github.com:evoyiatzis/lammps into collected-small-changes
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2020-10-14 15:18:03 -04:00 |
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865b159d16
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update singularity definitions for readline 6/7 to have a pkg-config file
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2020-10-14 15:06:57 -04:00 |
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234f27514f
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avoid CMake failure when reporting packages without any of them enabled
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2020-10-14 14:59:24 -04:00 |
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65eb4b5527
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explicitly enable C++11 and use pkg-config to get readline flags
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2020-10-14 14:33:12 -04:00 |
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d322e29f64
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mention that C++11 also needs to be enabled with Ubuntu 16.04
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2020-10-14 14:30:03 -04:00 |
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45939602a5
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Update fix_widom.rst
the shake keyword is not applicable to widom insertions
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2020-10-14 20:17:35 +02:00 |
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18091f15e0
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Merge branch 'master' into collected-small-changes
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2020-10-14 13:11:30 -04:00 |
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7f804512b7
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rename to be consistent with example log files
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2020-10-14 13:11:13 -04:00 |
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d27c7cd2fc
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Merge pull request #2421 from akohlmey/remove-obsolete-files
Remove outdated or obsolete files
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2020-10-14 13:09:52 -04:00 |
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60ff1380d7
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update log files for bench/POTENTIALS
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2020-10-14 11:04:51 -04:00 |
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50986d5f27
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Merge pull request #2416 from akohlmey/lammps-shell-improvements
Bug fixes and improvements for the LAMMPS Shell tool
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2020-10-14 10:42:30 -04:00 |
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1e2c8ce2e6
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correct data file for USER-EFF
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2020-10-14 08:15:59 -04:00 |
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3894212712
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correctly use REBO potential
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2020-10-14 08:04:57 -04:00 |
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bb6cfbeec1
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mention AMD GPUs
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2020-10-14 08:04:37 -04:00 |
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a002194e26
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remove outdated "bench/KEPLER" folder
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2020-10-14 07:57:32 -04:00 |
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07387d5e6c
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remove outdated "examples/accelerate" folder
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2020-10-14 07:56:58 -04:00 |
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587be7a21a
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Remove makefiles for obsolete machines and configurations or that are redundant
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2020-10-14 07:54:07 -04:00 |
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89d60afb91
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make certain alpha_final is initialized
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2020-10-14 04:51:51 -04:00 |
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00e1edfae9
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add a preset for selecting gcc compilers (for cases where they are not the default)
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2020-10-14 04:51:34 -04:00 |
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2026636f72
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overview description for the unit test folders
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2020-10-13 22:00:10 -04:00 |
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acbb54d35f
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tweak testing and add at test run for history expansion
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2020-10-13 21:32:48 -04:00 |
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f003a6c536
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implement a test prototype for the LAMMPS shell
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2020-10-13 20:36:24 -04:00 |
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290763a844
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add a test_mode where the isatty() check is bypassed and history not read
this is enabled when the LAMMPS_SHELL_TESTING environment variable is set
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2020-10-13 17:09:11 -04:00 |
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114dd48779
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change behavior with respect to OpenMP versus the regular LAMMPS executable
since the shell is not meant to be run with MPI we can use all threads by default.
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2020-10-13 17:08:23 -04:00 |
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8ab5f3c71a
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adjust recently added/expanded tests so they skip tests when packages are missing
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2020-10-13 15:42:21 -04:00 |
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d0ac698a41
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must not assume that size_one == nfield in DumpCustom since DumpVTK changes it
this changes all loops over format strings and output types to using nfield
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2020-10-13 15:28:02 -04:00 |
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e23774ed56
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include "pointers.h" to avoid include file name conflicts when compiling with USER-VTK enabled
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2020-10-13 15:26:38 -04:00 |
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8920830909
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utils.h is not needed (globally included via pointer.h)
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2020-10-13 15:25:46 -04:00 |
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338b05d9dd
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set only build type specific compiler flags, so using -DCMAKE_CXX_FLAGS will work as expected
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2020-10-13 12:00:03 -04:00 |
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60a296fea8
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small tweaks
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2020-10-12 23:51:00 -04:00 |
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49afab09a5
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Building LAMMPS for Windows with the MinGW cross compiler is supported with CMake only
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2020-10-12 23:49:40 -04:00 |
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61381ad821
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Use User's Guide and Programmer's Guide. Normalize header level formatting
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2020-10-12 23:31:03 -04:00 |
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ed885847a3
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expose document and test more atom style property flags
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2020-10-12 20:24:21 -04:00 |
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a684f896de
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rearrange doxygen docs for lammps_extract_settings() and lammps_extract_global()
this replaces two large tables whith multiple small tables that group
parameters by similar context
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2020-10-12 18:59:35 -04:00 |
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9bdae2b5c0
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move installed packages summary to a different location further down in the output
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2020-10-12 18:04:19 -04:00 |
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1d7fa39bc2
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don't print a message for each generated style/package header file
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2020-10-12 17:10:38 -04:00 |
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a97e632bb0
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make enabled packages report more compact
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2020-10-12 17:10:04 -04:00 |
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ec4eab5061
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CMake change requested by @junghans
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2020-10-12 15:21:08 -04:00 |
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24cec51e85
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add tests for using python invoke and python style variables
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2020-10-12 06:17:16 -04:00 |
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8c5da70823
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handle the case where the variable type is invalid and thus a null pointer is returned
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2020-10-12 06:16:28 -04:00 |
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