jianmu
/
lammps
forked from lijiext/lammps
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity
23,823 Commits 9 Branches 198 Tags 1.1 GiB
Commit Graph

23823 Commits

Author SHA1 Message Date
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 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
Axel Kohlmeyer 7af95dd396
Merge pull request #2432 from akohlmey/collected-small-changes 
Collected small changes for the stable release
 2020-10-19 19:43:39 -04:00
Axel Kohlmeyer 5ac910a748
remove redundant file 2020-10-19 15:46:49 -04:00
Axel Kohlmeyer 56cecf2c3a
small tweaks: avoid overflow and add missing newline 2020-10-19 15:46:33 -04:00
Axel Kohlmeyer 4b2fd65585
fix issue where a variable was used before it was assigned. 2020-10-19 15:46:03 -04:00
Axel Kohlmeyer 2c54b7e505
update USER-SMD examples: rename files, shorten runs and add logfiles 2020-10-19 15:45:26 -04:00
Axel Kohlmeyer ef9920bd37
Merge branch 'correct_user_smd_examples' of github.com:dboemer/lammps into collected-small-changes 2020-10-19 13:52:18 -04:00
Axel Kohlmeyer 4795e01d54
Support being called from a graphical shell through filename association. 
This adds a hack to the LAMMPS shell that hides the first argument from
the LAMMPS class, if it does not start with a '-' and instead tries to
open it as an input file.
 2020-10-19 11:40:28 -04:00
Dominik Boemer f67d9bb523 Correct USER smd examples and remove tabs 2020-10-19 14:56:40 +02:00
Axel Kohlmeyer c891b9dca6
add simple main function for building a static Tcl shell executable 2020-10-19 01:01:27 -04:00
Axel Kohlmeyer 8c5ac3d49c
add README file to SWIG tool 2020-10-19 01:01:06 -04:00
Axel Kohlmeyer 5a70ee8a40
make names of custom data functions consistent 2020-10-19 01:00:50 -04:00
Axel Kohlmeyer f74203fb33
start adding documentation about SWIG wrapping to the manual 2020-10-19 01:00:02 -04:00
Axel Kohlmeyer 97767d0a3c
add some support functions to cast pointers and get values from pointers 2020-10-18 12:40:17 -04:00
Axel Kohlmeyer eab5d68a09
move SWIG support to tools/swig folder 2020-10-18 08:19:20 -04:00
Axel Kohlmeyer 0f71c02059
suppress developer warnings 2020-10-18 08:12:29 -04:00
Axel Kohlmeyer 0685df3e64
add "clean-all" target to remove all content generated by build or example run scripts 2020-10-18 08:12:08 -04:00
Axel Kohlmeyer 1595c7ed48
copy example run scripts to the swig folder in the build tree 2020-10-18 08:11:20 -04:00
Axel Kohlmeyer c6690eed6c
add ruby to the fold 2020-10-18 02:16:06 -04:00
Axel Kohlmeyer 23cfdaac11
simplify 2020-10-18 01:56:18 -04:00
Axel Kohlmeyer c376b8ffa5
add java interface 2020-10-18 01:49:19 -04:00