25420fc030
Start update of fep examples and doc
2021-01-22 21:39:09 +01:00
e88d42f596
correct indentation
2021-01-17 16:06:08 -05:00
14f691f0af
Add support for NVIDIA OpenCL in Ubuntu gpu containers
2020-11-30 14:46:24 -05:00
b4f1779b62
reformat with clang-format
2020-10-23 21:04:45 -04:00
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
c51d2a286a
call resource compiler to include icon files into LAMMPS shell on Windows
2020-10-23 20:06:21 -04:00
3242cd5d31
mention desktop file and icons in README
2020-10-23 00:29:48 -04:00
8854e7b8de
Add desktop integration for LAMMPS shell
2020-10-23 00:20:15 -04:00
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
bc43865f45
need to look for Java Development components, not just JNI parts
2020-10-22 01:55:42 -04:00
0ab8803d19
Merge pull request #2437 from akohlmey/correct-urls
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Make references to LAMMPS and other websites consistent
2020-10-21 20:34:14 -04:00
386bea76cb
describe more clearly what is provided
2020-10-21 17:25:42 -04:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
9cdf6f1e8b
more portability changes
2020-10-21 14:22:06 -04:00
d7a0971578
make python support more portable, require python3
2020-10-21 14:14:46 -04:00
53028b24d6
improve portability for building SWIG Tcl wrappers
2020-10-21 14:06:25 -04:00
ad50db1feb
use a different/cleaner approach to build an extended Tcl shell
2020-10-20 18:53:29 -04:00
0547425482
a few more small fixes
2020-10-20 18:30:32 -04:00
6259b277df
replace explicit clean-all target with added properties
2020-10-20 18:30:19 -04:00
fe7628f954
add check that that extension module is compiled before running example scripts
2020-10-20 18:29:43 -04:00
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
515f1d9ead
make module search path commands consistent
2020-10-20 17:38:03 -04:00
eeaff55df7
SWIG support documentation update
2020-10-20 16:37:30 -04:00
bc1d325930
dmonstrate data access functions
2020-10-20 15:57:02 -04:00
3ad397dd60
implement some more data access functions and handle passing string buffers
2020-10-20 11:43:03 -04:00
6c826823fe
update SWIG support readme
2020-10-20 11:42:23 -04:00
cd444eefe2
Merge branch 'master' into swig-wrappers
2020-10-19 21:58:23 -04:00
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
c891b9dca6
add simple main function for building a static Tcl shell executable
2020-10-19 01:01:27 -04:00
8c5ac3d49c
add README file to SWIG tool
2020-10-19 01:01:06 -04:00
5a70ee8a40
make names of custom data functions consistent
2020-10-19 01:00:50 -04:00
97767d0a3c
add some support functions to cast pointers and get values from pointers
2020-10-18 12:40:17 -04:00
eab5d68a09
move SWIG support to tools/swig folder
2020-10-18 08:19:20 -04:00
a04c8c8a3b
fix typo
2020-10-16 22:46:20 -04:00
4d31ae7279
Beter system folder detection, add URL to "help" commmand. avoid buffer overflow.
2020-10-16 15:17:57 -04:00
f2ba37e35d
try swithing the current working directory when dropped into a Windows system folder.
2020-10-16 10:47:23 -04:00
865b159d16
update singularity definitions for readline 6/7 to have a pkg-config file
2020-10-14 15:06:57 -04:00
65eb4b5527
explicitly enable C++11 and use pkg-config to get readline flags
2020-10-14 14:33:12 -04:00
290763a844
add a test_mode where the isatty() check is bypassed and history not read
...
this is enabled when the LAMMPS_SHELL_TESTING environment variable is set
2020-10-13 17:09:11 -04:00
114dd48779
change behavior with respect to OpenMP versus the regular LAMMPS executable
...
since the shell is not meant to be run with MPI we can use all threads by default.
2020-10-13 17:08:23 -04:00
ee98ecc7bb
document save_history command and a few more small tweaks
2020-10-11 15:47:38 -04:00
556d48f1dc
implement a "save_history" command into the LAMMPS shell
2020-10-11 15:30:56 -04:00
f6683fefea
avoid segfault on the last word of the command history
2020-10-11 14:05:37 -04:00
9950f0d259
small LAMMPS shell updates
...
- implement a "source" command (same as "include")
- synchronize documentation in manual and README
- updates to readline customizations
2020-10-11 13:53:15 -04:00
362fe700a5
remove static libraries for cross-compiler. not used with .dll version.
2020-10-09 13:26:52 -04:00
7a9b4ef0d4
include FFTW in MinGW cross-compiler libraries. Make static/dynamic explicit
2020-10-09 02:27:31 -04:00
d48b0ebd7b
print OS/Compiler info when starting LAMMPS shell
2020-10-07 18:37:27 -04:00
ac6e99ae81
implement "mem" command into LAMMPS shell to print current and max memory use
2020-10-07 18:36:43 -04:00
15f9987c32
add custom commands "cd" and "pwd" to the LAMMPS shell
2020-10-06 18:39:22 -04:00
fb1dab6098
Merge branch 'master' into collected-small-fixes
2020-10-06 18:00:33 -04:00
