c588b44cf1
consistent formating: replace "} else{" with "} else {"
2018-12-29 12:35:01 -05:00
31427a2380
consistent formatting: replace "if( XXX ){" with "if (XXX) {"
2018-12-29 12:32:59 -05:00
7177c541d4
consistent source format: replace '}else{' with '} else {'
2018-12-29 12:20:24 -05:00
3a7350575c
tweak coeff argument parsing settings for lj/class2/coul/long
2018-12-28 17:38:55 -05:00
b19ee27f86
initialize two more struct Tree members to appease coverity scan
2018-12-28 01:01:33 -05:00
2d4411130f
ensure that binsize is initialized in all cases
2018-12-28 01:01:07 -05:00
cc1c93a3d9
correct broken formatting and add explicit links to ParmEd and InterMol, a few tweaks
2018-12-28 00:29:40 -05:00
685ed827d7
small formatting changes
2018-12-19 06:46:19 -05:00
5fb8f23cb4
update false positives list for recent manual changes
2018-12-19 02:24:16 -05:00
ba3ee71edf
update the github workflow checklist with a missing requirement
2018-12-19 02:09:31 -05:00
caba050f29
update list of items to check for contributing code to current status
2018-12-19 02:03:27 -05:00
90e125a73a
make error message for input parameter type mismatch more specific to show what is incorrect
2018-12-17 14:03:26 -05:00
34e0c05b09
allow -suffix and -package command line flags to be use independently
2018-12-16 20:36:48 -05:00
5508438ba1
make included Pizza.py code for reading dumps compatible with python 2.7
2018-12-16 18:30:44 -05:00
f7a2cd689b
document default setting for flip flag
2018-12-15 19:14:59 -05:00
875f7776c6
small whitespace adjustment
2018-12-14 15:28:31 -05:00
94a4b59961
place queries for OS and compiler into functions in Info and use them for both, the info command and lmp -h/-help
2018-12-14 14:22:13 -05:00
ea8376b3fa
skip writing redundant version information to the screen when using the -h/-help flag.
2018-12-14 14:21:31 -05:00
deb21ad4e2
support variables for more region properties
...
add code to allow the center of a spherical or cylindrical
region to be determined as variables and thus change over time.
2018-12-13 14:06:12 -05:00
5b0c43108d
detect missing initialization and run it instead of crashing with a non-descript segfault
2018-12-12 16:39:27 -05:00
f2f7bcfa5a
add new false positive
2018-12-11 23:45:27 -05:00
35cfedab39
document PDF manual generation
2018-12-11 21:13:03 -05:00
3ad4c0db35
expose "make spelling" in the doc folder to the documentation
2018-12-11 21:02:52 -05:00
bbe863f1ac
add input for controlling a wall for a slab
2018-12-11 05:43:19 -05:00
eeaeab0832
add example for using fix controller with a moving wall to adjust pressure
2018-12-11 05:31:12 -05:00
264dd59c75
also output integer sizes and the corresponding define with lmp -h
2018-12-10 17:58:42 -05:00
e6321e1020
Merge pull request #1246 from akohlmey/next-patch-release
...
Patch release 7 December 2018
2018-12-07 14:15:12 -05:00
0165f18d59
Merge pull request #1241 from akohlmey/collected-small-fixes
...
Collected small changes and updates for stable release
2018-12-07 11:28:26 -05:00
c36f8390d2
Merge pull request #1240 from akohlmey/fix-tune-kspace-limits
...
Detect fix tune/kspace incompatible configurations
2018-12-07 11:28:02 -05:00
57204a0f66
reformat recently changed paragraphs in the manual
2018-12-07 10:38:01 -05:00
4f00984bbc
Merge branch 'master' into collected-small-fixes
2018-12-07 10:32:33 -05:00
f02eab3990
Merge pull request #1248 from junghans/cmake-plumed
...
cmake: USER-PLUMED does not depend on LAPACK anymore
2018-12-07 10:31:18 -05:00
4792ff1dc2
Merge pull request #1247 from gtribello/master
...
Changes to manual related to the USER-PLUMED package
2018-12-07 10:30:35 -05:00
998a512143
update log files for USER-UEF
2018-12-07 10:19:34 -05:00
29dcf8348b
No longer require LAPACK and BLAS to compile PLUMED+LAMMPS so removed this statement from docs
2018-12-07 15:16:40 +00:00
1bd81db9b3
Fixed spelling mistakes
2018-12-07 15:15:35 +00:00
a30e1b2670
cmake: USER-PLUMED does not LAPACK anymore
2018-12-07 06:10:29 -07:00
4a4dbc7da5
Added further instructions on building of PLUMED+LAMMPS
2018-12-07 12:49:00 +00:00
0244841b27
auto-request a review from @sjplimp when the LAMMPS version is updated
2018-12-07 06:15:03 -05:00
ee98dc0b96
step version number to 7 December 2018
2018-12-07 06:11:30 -05:00
e61b553bb3
update USER-MOFF log files
2018-12-07 05:54:02 -05:00
f8da830c07
fix new[]/delete mismatches and a memory leak in USER-DIFFRACTION package
2018-12-07 05:51:02 -05:00
20eca799b1
update log files for USER-DIFFRACTION package
2018-12-07 05:50:39 -05:00
d802817cca
Small changes to the documentation for building and using PLUMED
2018-12-07 10:39:10 +00:00
8ce60d8761
update USER-CGSDK and USER-COLVARS log files
2018-12-07 05:03:26 -05:00
c44620f00e
make sure all class pointers in the LAMMPS class are initialized to NULL
...
some early use of the LAMMPS class may produce segmentation faults,
if member classes are not yet initialized and their pointers are
pointing to random locations. For NULL we can easily test.
2018-12-07 04:34:00 -05:00
a5f75bbabd
plug memory leaks in USER-CGDNA package pair styles
2018-12-07 04:33:33 -05:00
685a8bfc62
update or add logs for USER-AWPMD, USER-BOCS, and USER-CGDNA
2018-12-07 04:32:46 -05:00
cd0924ca4c
add log files for USER-AWPMD examples
2018-12-07 03:49:46 -05:00
18f7e96e8a
update log files for USER-PLUMED examples
2018-12-06 19:07:36 -05:00
