|
|
f67d9bb523
|
Correct USER smd examples and remove tabs
|
2020-10-19 14:56:40 +02:00 |
|
|
|
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 |
|
|
|
4d31ae7279
|
Beter system folder detection, add URL to "help" commmand. avoid buffer overflow.
|
2020-10-16 15:17:57 -04:00 |
|
|
|
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 |
|
|
|
4335f3d2ab
|
Add LAMMPS icon in docs
|
2020-10-16 12:18:25 -04:00 |
|
|
|
f547cb4262
|
clarify tasks for single() for Bond and Angle classes
|
2020-10-16 10:48:00 -04:00 |
|
|
|
f2ba37e35d
|
try swithing the current working directory when dropped into a Windows system folder.
|
2020-10-16 10:47:23 -04:00 |
|
|
|
f5c457334a
|
make headers more compact
|
2020-10-16 02:43:20 -04:00 |
|
|
|
dd7a3a3a54
|
move the entries about using the Python module into its own (sub) toctree
|
2020-10-15 20:29:24 -04:00 |
|
|
|
08d892d0d9
|
whitespace
|
2020-10-15 19:56:31 -04:00 |
|
|
|
5d3f10611a
|
Adjust Python deprecation notice
|
2020-10-15 18:25:58 -04:00 |
|
|
|
99f9a16a25
|
Update Python docs
|
2020-10-15 18:19:57 -04:00 |
|
|
|
4a946f5388
|
rename sections to User Guide and Programmer Guide
|
2020-10-15 12:00:36 -04:00 |
|
|
|
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 |
|
|
|
bc16709150
|
tweak
|
2020-10-14 23:59:06 -04:00 |
|
|
|
dc8e6bc5ab
|
mention example using the new Fortran module in examples/COUPLE/simple
|
2020-10-14 23:29:03 -04:00 |
|
|
|
88644caaec
|
update header texts
|
2020-10-14 23:28:28 -04:00 |
|
|
|
937f8b3f61
|
reorder sections in developer guide
|
2020-10-14 22:57:41 -04:00 |
|
|
|
d41cce7660
|
update LAMMPS class diagram
|
2020-10-14 22:57:21 -04:00 |
|
|
|
a7a4ea76a2
|
update LAMMPS logo with raytraced version
|
2020-10-14 22:57:02 -04:00 |
|
|
|
89842fc7c4
|
Merge pull request #2418 from akohlmey/collected-small-changes
Collected small changes and bugfixes for the stable release
|
2020-10-14 17:45:10 -04:00 |
|
|
|
28641bcbc7
|
Merge pull request #2402 from ndtrung81/gpu-dpd
Allowed dpd/tstat/gpu and dpd/gpu to work together in pair style hybrid
|
2020-10-14 17:18:02 -04:00 |
|
|
|
61c33e5622
|
update documentation conventions for recent changes to the manual.
|
2020-10-14 17:01:58 -04:00 |
|
|
|
3926cbe5f0
|
Merge branch 'patch-3' of github.com:evoyiatzis/lammps into collected-small-changes
|
2020-10-14 15:18:03 -04:00 |
|
|
|
865b159d16
|
update singularity definitions for readline 6/7 to have a pkg-config file
|
2020-10-14 15:06:57 -04:00 |
|
|
|
234f27514f
|
avoid CMake failure when reporting packages without any of them enabled
|
2020-10-14 14:59:24 -04:00 |
|
|
|
65eb4b5527
|
explicitly enable C++11 and use pkg-config to get readline flags
|
2020-10-14 14:33:12 -04:00 |
|
|
|
d322e29f64
|
mention that C++11 also needs to be enabled with Ubuntu 16.04
|
2020-10-14 14:30:03 -04:00 |
|
|
|
45939602a5
|
Update fix_widom.rst
the shake keyword is not applicable to widom insertions
|
2020-10-14 20:17:35 +02:00 |
|
|
|
18091f15e0
|
Merge branch 'master' into collected-small-changes
|
2020-10-14 13:11:30 -04:00 |
|
|
|
7f804512b7
|
rename to be consistent with example log files
|
2020-10-14 13:11:13 -04:00 |
|
|
|
d27c7cd2fc
|
Merge pull request #2421 from akohlmey/remove-obsolete-files
Remove outdated or obsolete files
|
2020-10-14 13:09:52 -04:00 |
|
|
|
60ff1380d7
|
update log files for bench/POTENTIALS
|
2020-10-14 11:04:51 -04:00 |
|
|
|
50986d5f27
|
Merge pull request #2416 from akohlmey/lammps-shell-improvements
Bug fixes and improvements for the LAMMPS Shell tool
|
2020-10-14 10:42:30 -04:00 |
|
|
|
1e2c8ce2e6
|
correct data file for USER-EFF
|
2020-10-14 08:15:59 -04:00 |
|
|
|
3894212712
|
correctly use REBO potential
|
2020-10-14 08:04:57 -04:00 |
|
|
|
bb6cfbeec1
|
mention AMD GPUs
|
2020-10-14 08:04:37 -04:00 |
|
|
|
a002194e26
|
remove outdated "bench/KEPLER" folder
|
2020-10-14 07:57:32 -04:00 |
|
|
|
07387d5e6c
|
remove outdated "examples/accelerate" folder
|
2020-10-14 07:56:58 -04:00 |
|
|
|
587be7a21a
|
Remove makefiles for obsolete machines and configurations or that are redundant
|
2020-10-14 07:54:07 -04:00 |
|
|
|
89d60afb91
|
make certain alpha_final is initialized
|
2020-10-14 04:51:51 -04:00 |
|
|
|
00e1edfae9
|
add a preset for selecting gcc compilers (for cases where they are not the default)
|
2020-10-14 04:51:34 -04:00 |
|
|
|
2026636f72
|
overview description for the unit test folders
|
2020-10-13 22:00:10 -04:00 |
|
|
|
acbb54d35f
|
tweak testing and add at test run for history expansion
|
2020-10-13 21:32:48 -04:00 |
|
|
|
f003a6c536
|
implement a test prototype for the LAMMPS shell
|
2020-10-13 20:36:24 -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 |
|
|
|
8ab5f3c71a
|
adjust recently added/expanded tests so they skip tests when packages are missing
|
2020-10-13 15:42:21 -04:00 |
|
|
|
d0ac698a41
|
must not assume that size_one == nfield in DumpCustom since DumpVTK changes it
this changes all loops over format strings and output types to using nfield
|
2020-10-13 15:28:02 -04:00 |
|
|
|
e23774ed56
|
include "pointers.h" to avoid include file name conflicts when compiling with USER-VTK enabled
|
2020-10-13 15:26:38 -04:00 |
|
