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23,843 Commits 9 Branches 198 Tags 1.1 GiB
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23843 Commits

Author SHA1 Message Date
Axel Kohlmeyer 8854e7b8de
Add desktop integration for LAMMPS shell 2020-10-23 00:20:15 -04:00
Axel Kohlmeyer c29474c533
Merge pull request #2443 from akohlmey/next_lammps_version 
Step version strings for next release
 2020-10-22 18:11:33 -04:00
Axel Kohlmeyer c7a10050c2
Merge pull request #2439 from akohlmey/collected-small-changes 
Collected small changes for the next release
 2020-10-22 17:23:49 -04:00
Axel Kohlmeyer 9bc3ccd49a
fix misplaced "#endif" 2020-10-22 15:45:24 -04:00
Axel Kohlmeyer 5ff0dbb431
step version strings for next patch release (and stable release candidate) 2020-10-22 15:36:58 -04:00
Axel Kohlmeyer fcd442d751
simplify code. print warnings only on MPI rank 0. update parameter names 2020-10-22 15:35:45 -04:00
Axel Kohlmeyer 68b533d1b8
correct order of functions 2020-10-22 14:59:55 -04:00
Axel Kohlmeyer b64585c631
Merge branch 'collected-small-changes' of github.com:akohlmey/lammps into collected-small-changes 2020-10-22 12:11:58 -04:00
Axel Kohlmeyer bcf5abccb5
reorder functions in library.h and library.cpp to match order in manual 2020-10-22 12:11:42 -04:00
Axel Kohlmeyer bc43865f45
need to look for Java Development components, not just JNI parts 2020-10-22 01:55:42 -04:00
Axel Kohlmeyer a14b38ce21
avoid bell 2020-10-21 22:23:45 -04:00
Axel Kohlmeyer bb32cbc223
add a few more tests for the lammps-shell 2020-10-21 22:07:38 -04:00
Axel Kohlmeyer ac6f85f8be
make expansion of internal command unambiguous 2020-10-21 21:14:53 -04:00
Axel Kohlmeyer 0ab8803d19
Merge pull request #2437 from akohlmey/correct-urls 
Make references to LAMMPS and other websites consistent
 2020-10-21 20:34:14 -04:00
Axel Kohlmeyer e79e53c540
Merge pull request #2438 from akohlmey/swig-support-fixes 
Small updates to SWIG tool for increased portability and correctness
 2020-10-21 19:57:23 -04:00
Axel Kohlmeyer 386bea76cb
describe more clearly what is provided 2020-10-21 17:25:42 -04:00
Axel Kohlmeyer 6b2a98b537
ad few more manual updates of outdated, mistyped or no longer available URLs 2020-10-21 17:19:33 -04:00
Axel Kohlmeyer f8bf4989f4
update URLs from http:// to https:// 2020-10-21 17:04:23 -04:00
Axel Kohlmeyer a914a3aac2
update outdated URLs 2020-10-21 17:03:46 -04:00
Axel Kohlmeyer f23d831a90
update cslib homepage URLs to use https:// 2020-10-21 16:53:30 -04:00
Axel Kohlmeyer adf74b3a22
use https://lammps.sandia.gov based URLs consistently 2020-10-21 16:45:30 -04:00
Axel Kohlmeyer 9cdf6f1e8b
more portability changes 2020-10-21 14:22:06 -04:00
Axel Kohlmeyer d7a0971578
make python support more portable, require python3 2020-10-21 14:14:46 -04:00
Axel Kohlmeyer 53028b24d6
improve portability for building SWIG Tcl wrappers 2020-10-21 14:06:25 -04:00
Axel Kohlmeyer 1753c9f361
Merge pull request #2434 from akohlmey/swig-wrappers 
Provide an interface file for creating script wrappers for LAMMPS with SWIG
 2020-10-21 12:56:11 -04:00
Axel Kohlmeyer 2ed11f55d6
fix URLs to documentation files 2020-10-21 11:12:13 -04:00
Axel Kohlmeyer 0a30398d1f
get rid of obsolete README note. We have long ago fixed the aliasing issue in Coulomb tabulation 2020-10-21 11:10:26 -04:00
Axel Kohlmeyer de8149154a
fix broken internal links in the manual 2020-10-21 10:56:52 -04:00
Axel Kohlmeyer cc90596183
fix link to documentation 2020-10-21 10:49:01 -04:00
Axel Kohlmeyer de40b3e637
remove trailing whitespace 2020-10-20 21:24:02 -04:00
Axel Kohlmeyer 7549edd844
Merge branch 'master' into swig-wrappers 2020-10-20 21:22:53 -04:00
Axel Kohlmeyer a8c0142621
update docs for building SWIG Tcl wrapper 2020-10-20 21:22:39 -04:00
Axel Kohlmeyer 4b447fb3d8
Merge pull request #2429 from rbberger/python_docs 
Minor updates to the Python docs
 2020-10-20 21:12:44 -04:00
Axel Kohlmeyer 955c7c1efb
Merge pull request #2433 from athomps/eamfs-doc 
Clarified order of rho_alpha_beta density functions
 2020-10-20 20:13:35 -04:00
Axel Kohlmeyer ad50db1feb
use a different/cleaner approach to build an extended Tcl shell 2020-10-20 18:53:29 -04:00
Axel Kohlmeyer 1b358603c2
simplify 2020-10-20 18:52:53 -04:00
Axel Kohlmeyer 0547425482
a few more small fixes 2020-10-20 18:30:32 -04:00
Axel Kohlmeyer 6259b277df
replace explicit clean-all target with added properties 2020-10-20 18:30:19 -04:00
Axel Kohlmeyer fe7628f954
add check that that extension module is compiled before running example scripts 2020-10-20 18:29:43 -04:00
Axel Kohlmeyer 7db669df40
add support to also build an extended tcl shell as opposed to dynamically loading the extension 2020-10-20 18:29:16 -04:00
Axel Kohlmeyer 515f1d9ead
make module search path commands consistent 2020-10-20 17:38:03 -04:00
Axel Kohlmeyer faf67662d5
fix typo 2020-10-20 16:47:56 -04:00
Axel Kohlmeyer b9a57899a6
whitespace fix 2020-10-20 16:46:21 -04:00
Axel Kohlmeyer eeaff55df7
SWIG support documentation update 2020-10-20 16:37:30 -04:00
Axel Kohlmeyer bc1d325930
dmonstrate data access functions 2020-10-20 15:57:02 -04:00
Aidan Thompson 75ac1857ab Clarified order of rho_alpha_beta density functions 2020-10-20 11:47:41 -06:00
Axel Kohlmeyer 3ad397dd60
implement some more data access functions and handle passing string buffers 2020-10-20 11:43:03 -04:00
Axel Kohlmeyer 6c826823fe
update SWIG support readme 2020-10-20 11:42:23 -04:00
Axel Kohlmeyer 7297ed3115
apply stack-protector fix required by newer versions of MinGW, e.g. on Fedora 33 2020-10-19 21:59:27 -04:00
Axel Kohlmeyer cd444eefe2
Merge branch 'master' into swig-wrappers 2020-10-19 21:58:23 -04:00