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23843 Commits

Author SHA1 Message Date
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
Axel Kohlmeyer 42116fc444
expand examples to include some LAMMPS commands 2020-10-18 01:06:34 -04:00
Axel Kohlmeyer e1b00a67f8
include enumerator constants into swig interface file 2020-10-18 01:06:17 -04:00
Axel Kohlmeyer 1ed735e311
add some minimal usage examples 2020-10-18 00:45:21 -04:00
Axel Kohlmeyer 58ceab93ec
include enumerators 2020-10-18 00:45:04 -04:00
Axel Kohlmeyer fcbbc51a33
add minimally tested swig wrapper for Lua, Perl5, Python, and Tcl 2020-10-17 23:51:36 -04:00
Axel Kohlmeyer 722b9c8cf3
small tweak 2020-10-16 22:46:33 -04:00
Axel Kohlmeyer a04c8c8a3b
fix typo 2020-10-16 22:46:20 -04:00
Richard Berger cd605d46bc
Add missing code-block language 2020-10-16 18:22:29 -04:00
Richard Berger b3b650acf2
Update Python_execute.rst 2020-10-16 18:22:29 -04:00
Richard Berger 91a1e9abb4
Correct table in Python_examples.rst 2020-10-16 18:22:28 -04:00
Richard Berger 4534e78df1
Add extra space in Python_run.rst 2020-10-16 17:20:38 -04:00
Richard Berger 853b5ea576
Remove redundant links and wording 2020-10-16 17:13:31 -04:00
Axel Kohlmeyer 7420b7018a
Merge pull request #2427 from akohlmey/lammps-shell-tweaks 
A few more tweaks for the LAMMPS Shell
 2020-10-16 16:43:42 -04:00
Axel Kohlmeyer 4d31ae7279
Beter system folder detection, add URL to "help" commmand. avoid buffer overflow. 2020-10-16 15:17:57 -04:00
Axel Kohlmeyer eaa75417f2
Merge pull request #2425 from akohlmey/more-doc-updates 
More updates/reorganization of the programmer part of the manual
 2020-10-16 15:02:21 -04:00
Richard Berger 4335f3d2ab
Add LAMMPS icon in docs 2020-10-16 12:18:25 -04:00
Axel Kohlmeyer f547cb4262
clarify tasks for single() for Bond and Angle classes 2020-10-16 10:48:00 -04:00
Axel Kohlmeyer f2ba37e35d
try swithing the current working directory when dropped into a Windows system folder. 2020-10-16 10:47:23 -04:00
Axel Kohlmeyer f5c457334a
make headers more compact 2020-10-16 02:43:20 -04:00
Axel Kohlmeyer dd7a3a3a54
move the entries about using the Python module into its own (sub) toctree 2020-10-15 20:29:24 -04:00
Axel Kohlmeyer 08d892d0d9
whitespace 2020-10-15 19:56:31 -04:00
Richard Berger 5d3f10611a
Adjust Python deprecation notice 2020-10-15 18:25:58 -04:00
Richard Berger 99f9a16a25
Update Python docs 2020-10-15 18:19:57 -04:00
Axel Kohlmeyer 4a946f5388
rename sections to User Guide and Programmer Guide 2020-10-15 12:00:36 -04:00
Axel Kohlmeyer f15dc4a0a8
add more details and derived class to the class diagram and use a different layout engine 2020-10-15 12:00:10 -04:00
Axel Kohlmeyer bc16709150
tweak 2020-10-14 23:59:06 -04:00
Axel Kohlmeyer dc8e6bc5ab
mention example using the new Fortran module in examples/COUPLE/simple 2020-10-14 23:29:03 -04:00
Axel Kohlmeyer 88644caaec
update header texts 2020-10-14 23:28:28 -04:00
Axel Kohlmeyer 937f8b3f61
reorder sections in developer guide 2020-10-14 22:57:41 -04:00
Axel Kohlmeyer d41cce7660
update LAMMPS class diagram 2020-10-14 22:57:21 -04:00