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a04c8c8a3b
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fix typo
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2020-10-16 22:46:20 -04:00 |
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cd605d46bc
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Add missing code-block language
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2020-10-16 18:22:29 -04:00 |
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b3b650acf2
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Update Python_execute.rst
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2020-10-16 18:22:29 -04:00 |
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91a1e9abb4
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Correct table in Python_examples.rst
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2020-10-16 18:22:28 -04:00 |
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4534e78df1
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Add extra space in Python_run.rst
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2020-10-16 17:20:38 -04:00 |
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853b5ea576
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Remove redundant links and wording
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2020-10-16 17:13:31 -04:00 |
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7420b7018a
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Merge pull request #2427 from akohlmey/lammps-shell-tweaks
A few more tweaks for the LAMMPS Shell
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2020-10-16 16:43:42 -04:00 |
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4d31ae7279
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Beter system folder detection, add URL to "help" commmand. avoid buffer overflow.
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2020-10-16 15:17:57 -04:00 |
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eaa75417f2
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Merge pull request #2425 from akohlmey/more-doc-updates
More updates/reorganization of the programmer part of the manual
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2020-10-16 15:02:21 -04:00 |
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4335f3d2ab
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Add LAMMPS icon in docs
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2020-10-16 12:18:25 -04:00 |
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f547cb4262
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clarify tasks for single() for Bond and Angle classes
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2020-10-16 10:48:00 -04:00 |
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f2ba37e35d
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try swithing the current working directory when dropped into a Windows system folder.
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2020-10-16 10:47:23 -04:00 |
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f5c457334a
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make headers more compact
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2020-10-16 02:43:20 -04:00 |
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dd7a3a3a54
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move the entries about using the Python module into its own (sub) toctree
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2020-10-15 20:29:24 -04:00 |
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08d892d0d9
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whitespace
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2020-10-15 19:56:31 -04:00 |
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5d3f10611a
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Adjust Python deprecation notice
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2020-10-15 18:25:58 -04:00 |
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99f9a16a25
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Update Python docs
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2020-10-15 18:19:57 -04:00 |
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4a946f5388
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rename sections to User Guide and Programmer Guide
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2020-10-15 12:00:36 -04:00 |
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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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