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562 Commits

Author SHA1 Message Date
Axel Kohlmeyer d9505a4527
cmake tweaks 2021-05-13 08:57:41 -04:00
Axel Kohlmeyer 228711f59b
add GPU device query functions to library interface and its wrappers 2021-05-11 14:59:49 -04:00
Axel Kohlmeyer b36cf85c31
update Swig interface definition file with added APIs. reorder to match library.h. 2021-05-06 20:50:21 -04:00
Axel Kohlmeyer 13fb03cf2c
fix typo 2021-05-05 23:22:05 -04:00
Axel Kohlmeyer 4e737b5645
add offline folder to tools README file 2021-05-05 23:19:32 -04:00
Richard Berger fe2a6eb8e7
Add quotes in instructions 2021-04-30 18:47:00 -04:00
Richard Berger dfa9f15817
Use URL-encoded PIP_FIND_LINKS to support spaces in paths 2021-04-30 18:18:58 -04:00
Richard Berger ee0e48ff86
Update README.md 2021-04-30 18:00:29 -04:00
Richard Berger 7994bb320f
Add more quotes 2021-04-30 17:52:32 -04:00
Richard Berger bebb5c3edf
Add quotes 2021-04-30 11:04:34 -04:00
Richard Berger 3bf2dbd45c
Merge branch 'offline_builds' of github.com:rbberger/lammps into offline_builds 2021-04-29 14:00:40 -04:00
Richard Berger 85f683c1a0
Fix typo 2021-04-29 14:00:23 -04:00
Richard Berger bfd2b301c6
Update README.md 2021-04-29 13:47:43 -04:00
Richard Berger 3d36d42e72
Update README.md 2021-04-29 13:47:17 -04:00
Richard Berger 53165fc7c9
Add PACELIB to offline scripts 2021-04-29 13:37:26 -04:00
Richard Berger 8b410cf2bd
Add scripts to simplify offline builds of docs and CMake 2021-04-29 13:26:55 -04:00
Axel Kohlmeyer 4738337e47
update/trim list of include files according to the IWYU principle 2021-04-24 13:22:39 -04:00
Axel Kohlmeyer 00e4bdb2b7
Merge pull request #2692 from arghdos/master 
Porting to new default platform for AMD/HIP in ROCm 4.1
 2021-04-06 14:39:30 -04:00
Richard Berger 160f2cc630
Update ROCm container definitions 2021-04-02 16:11:23 -04:00
Axel Kohlmeyer 31009b0517
Merge branch 'master' into plugin-loader 2021-03-16 19:46:21 -04:00
Axel Kohlmeyer c39d494ae4
update "magic" for restart files to have more information 2021-03-15 22:58:19 -04:00
Axel Kohlmeyer 84b0da3054
add a "magic" file for use with the file(1) command to detect LAMMPS files 2021-03-14 05:44:28 -04:00
Axel Kohlmeyer 88760fa648
add plugin clear command to unload all loaded plugins 2021-03-13 12:40:04 -05:00
Axel Kohlmeyer 79d438e090
add support for plugin command to LAMMPS shell 2021-03-13 12:18:07 -05:00
Agilio Padua 25420fc030 Start update of fep examples and doc 2021-01-22 21:39:09 +01:00
Axel Kohlmeyer e88d42f596
correct indentation 2021-01-17 16:06:08 -05:00
Richard Berger 14f691f0af
Add support for NVIDIA OpenCL in Ubuntu gpu containers 2020-11-30 14:46:24 -05:00
Axel Kohlmeyer b4f1779b62
reformat with clang-format 2020-10-23 21:04:45 -04:00
Axel Kohlmeyer 1382559dbe
adapt behavior of lammps-shell when passing filename without -in/-i flag 
To better handle the case of file association. We now split the path into
a directory and basename string and change the current working directory
to that directory and read the file with the basename.
This simplifies the .desktop file and makes the LAMMPS shell behave as
expected on Windows, too.
 2020-10-23 20:42:24 -04:00
Axel Kohlmeyer c51d2a286a
call resource compiler to include icon files into LAMMPS shell on Windows 2020-10-23 20:06:21 -04:00
Axel Kohlmeyer 3242cd5d31
mention desktop file and icons in README 2020-10-23 00:29:48 -04:00
Axel Kohlmeyer 8854e7b8de
Add desktop integration for LAMMPS shell 2020-10-23 00:20:15 -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 bc43865f45
need to look for Java Development components, not just JNI parts 2020-10-22 01:55:42 -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 386bea76cb
describe more clearly what is provided 2020-10-21 17:25:42 -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 ad50db1feb
use a different/cleaner approach to build an extended Tcl shell 2020-10-20 18:53:29 -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 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
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