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4ad6d99ca0
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updated documentation files: "pg_developer.rst", "math_eigen.h", and "false_positives.txt"
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2020-09-05 20:08:45 -07:00 |
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7cb774e6bc
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some corrections before rewriting the doxygen comments to comply with LAMMPS doxygen style.
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2020-09-05 16:37:15 -07:00 |
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4b66414bdf
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fixed a type error in math_eigen.h
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2020-09-05 10:38:14 -07:00 |
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58fa72ddc5
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replaced all numerical recipes jacobi() code with code from "math_eigen.h". moved "math_eigen.h" into the main "src" directory.
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2020-09-05 10:19:19 -07:00 |
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57f82abae3
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updated all code in LAMMPS to use the open-source "math_eigen.h" instead of "math_extra.h". Code in "lib" now uses its own abbreviated local version of the "math_eigen.h" file (which is named "jacobi_pd.h"), since it is not clear how code from "lib/" can access the code in "src/"
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2020-09-05 01:39:27 -07:00 |
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7f6fc8a003
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updated math_eigen.h and moved it into the main "src" directory
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2020-09-04 04:10:47 -07:00 |
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24f5807623
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Merge pull request #2319 from akohlmey/move-convenience-functions
Move some more convenience functions to utils namespace
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2020-08-31 14:29:42 -04:00 |
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54ed23448b
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instantiate bounds() also with long long to make windows happy.
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2020-08-31 14:14:51 -04:00 |
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675cf20e93
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Merge remote-tracking branch 'github/master' into move-convenience-functions
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2020-08-31 12:58:21 -04:00 |
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22ccde1d13
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modernize utils::bounds() implementation and remove duplicate definition.
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2020-08-31 12:58:00 -04:00 |
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9a4ec23c7f
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Merge pull request #2327 from akohlmey/remove-doxygen-tool
Remove doxygen tool folder and references to it in the manual
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2020-08-31 12:49:24 -04:00 |
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7fca3b7a65
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revert accidental change
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2020-08-31 12:46:22 -04:00 |
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1ff34d4b13
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avoid doxygen lookup ambiguity
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2020-08-31 12:46:05 -04:00 |
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67a5db03c7
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Merge pull request #2326 from ndtrung81/gpu-update-makefiles
update makefiles in lib/gpu for more recent architectures
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2020-08-31 12:30:28 -04:00 |
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0c7b9a7c63
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update utils tester for API change in bound()/boundsbig()
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2020-08-31 11:43:25 -04:00 |
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dd03c7232a
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Merge remote-tracking branch 'github/master' into move-convenience-functions
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2020-08-31 11:41:18 -04:00 |
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a4d3b21a43
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Merge pull request #2322 from Vsevak/cmake_cuda
Fix CMake building for CUDA 11
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2020-08-31 11:33:52 -04:00 |
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cf11945e21
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get rid of utils::boundsbig() by making it a template function with two specializations
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2020-08-31 11:25:43 -04:00 |
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8034a83ee8
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Merge pull request #2325 from akohlmey/fortran-interface
New Fortran interface to LAMMPS
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2020-08-31 10:27:10 -04:00 |
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3c71d300e5
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Merge pull request #2320 from akohlmey/programmer-guide
Add programmer guide part 2
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2020-08-31 10:06:04 -04:00 |
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c7360fb808
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include example use of PotentialFileReader class
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2020-08-31 07:45:52 -04:00 |
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c84033677c
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add documentation for potential file reader
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2020-08-31 07:31:28 -04:00 |
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33f2cbc713
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add docs for TextFileReader class to developer guide
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2020-08-31 06:57:16 -04:00 |
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39a9974f3d
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add ValueTokenizer example and use captions with code-blocks
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2020-08-30 23:57:02 -04:00 |
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569b6f95a3
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no need to use ValueTokenizer. Make code more compact.
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2020-08-30 23:32:17 -04:00 |
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e8e57b0628
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remove doxygen tool folder and references to it in the input as it is no longer compatible and needed
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2020-08-30 19:59:52 -04:00 |
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ecb1f266b5
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More updates
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2020-08-30 15:10:29 -05:00 |
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7a5f193c02
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Updated several Makefile's in lib/gpu for newer compute capabilities
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2020-08-30 15:06:44 -05:00 |
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4484699ab6
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fix spelling
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2020-08-30 15:52:42 -04:00 |
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65d2ee7464
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add work-in-progress marker to fortran library wrapper
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2020-08-30 15:23:02 -04:00 |
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199cfeba78
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more tweaks. doxygen translation has no more warnings now.
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2020-08-30 14:32:53 -04:00 |
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cd0cdf0b74
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silence compiler warning
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2020-08-30 14:28:29 -04:00 |
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f3ed1dea4d
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minor tweaks
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2020-08-30 14:28:19 -04:00 |
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8d45b724a6
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fix bug in conventional build makefile preventing the correct Install.py in the lib folder to be run
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2020-08-30 14:12:53 -04:00 |
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4b0999e167
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complete documentation of tokenizer classes
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2020-08-30 14:12:21 -04:00 |
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5623009962
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arch 3.0 is dropped in CUDA 11
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2020-08-30 13:12:42 +03:00 |
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96ee132e85
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start documenting tokenizer classes
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2020-08-30 01:50:37 -04:00 |
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8d2c16ad66
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remove trailing whitespace
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2020-08-30 00:31:04 -04:00 |
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f123246189
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minor doc updates
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2020-08-30 00:25:01 -04:00 |
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ceeaf1e988
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update and correct documentation for utils functions
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2020-08-29 23:51:46 -04:00 |
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9c404e02fd
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update include file conventions
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2020-08-29 22:56:37 -04:00 |
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83a9e5e724
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handle spelling issues with new doc text
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2020-08-29 22:55:05 -04:00 |
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e51a5ad8f4
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import doxygen docs for new utils functions
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2020-08-29 22:46:25 -04:00 |
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4396dbd9a3
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move Force::open_potential() to utils::open_potential()
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2020-08-29 22:37:14 -04:00 |
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798226967f
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Merge branch 'move-convenience-functions' of github.com:akohlmey/lammps into move-convenience-functions
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2020-08-29 22:22:45 -04:00 |
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6b7f4c500f
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document changes to LAMMPS_POTENTIALS environment variable
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2020-08-29 22:22:27 -04:00 |
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5a22f4d7f2
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support that LAMMPS_POTENTIALS is a real path variable with multiple entries, not just a single folder
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2020-08-29 22:22:03 -04:00 |
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b06ba74d18
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support that LAMMPS_POTENTIALS is a real path variable with multiple entries, not just a single folder
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2020-08-29 22:09:07 -04:00 |
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05ff352021
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add utils::open_potential() function to utils namespace
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2020-08-29 22:08:16 -04:00 |
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7413dc783e
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add tokenizer tests for splitting path environment variables
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2020-08-29 22:07:22 -04:00 |
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