6c839eb667
Merge branch 'npt-econs-varv' of https://github.com/athomps/lammps into collected-post-stable-patches
2018-12-17 14:16:47 -05:00
6dcd0ccfc3
Merge branch 'collected-small-changes' into collected-post-stable-patches
2018-12-17 14:15:28 -05:00
68b62bec29
Merge branch 'evoyiatzis-patch-1' of https://github.com/evoyiatzis/lammps into collected-post-stable-patches
2018-12-17 14:14:11 -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
96eb0ad527
Update pair_lj_class2_coul_long.cpp
2018-12-17 18:04:13 +01:00
d91c7f38f6
Update pair_lj_class2_coul_cut.cpp
2018-12-17 18:03:25 +01:00
968e56694f
Update pair_lj_class2.cpp
2018-12-17 18:02:27 +01:00
0ad44efe24
Update pair_lj_class2_coul_cut.h
2018-12-17 18:00:47 +01:00
6625a066b6
Update pair_lj_class2.h
2018-12-17 17:57:51 +01:00
980f7e3b36
Merge branch 'collected-small-changes' into collected-post-stable-patches
2018-12-16 20:41:02 -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
6c0b100a53
Merge branch 'master' into kim-v2-update
2018-12-16 15:56:33 -06:00
540026ca00
Update CMakeLists.txt to avoid merge conflicts
2018-12-16 15:53:51 -06:00
f7a2cd689b
document default setting for flip flag
2018-12-15 19:14:59 -05:00
24e2d4bb49
Added changes to other FixNH variants (just KOKKOS, in this case)
2018-12-14 18:27:34 -07:00
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
4f38878cf4
Removed unnecessary changes to ComputePressure
2018-12-12 17:48:02 -07:00
6f33ce9dba
Made two changes:
...
-recomputed up-to-date pressure tensor (fixes energy
conservation problem with aniso)
-changed ndof for iso (fixes volume fluctuation problem with iso)
2018-12-12 17:31:42 -07:00
e538fd5c6d
added rendezvous alg to fix shake
2018-12-12 17:14:56 -07:00
b068690e13
Update for kim-api beta.3 release
2018-12-12 16:21:54 -06:00
e39ba20e42
Merge branch 'collected-small-changes' into collected-post-stable-patches
2018-12-12 16:40:07 -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
0ed4da0bf9
Merge branch 'bond/react-delete_atoms' of https://github.com/jrgissing/lammps into collected-post-stable-patches
2018-12-12 00:20:17 -05:00
96c7f256f9
Merge branch 'snap-foundtest' of https://github.com/athomps/lammps into collected-post-stable-patches
2018-12-12 00:16:36 -05:00
02bdda0d05
Merge branch 'remove-reax-meam' into collected-post-stable-patches
2018-12-12 00:14:58 -05:00
be3c80829a
Merge branch 'collected-small-changes' into collected-post-stable-patches
2018-12-12 00:14:41 -05:00
0a610cb482
Merge branch 'sllod' into collected-post-stable-patches
2018-12-12 00:14:33 -05:00
5362b1cfde
use more accurate strncmp() check instead of strstr() and apply the same change to all affected variants of fix nvt/sllod
2018-12-12 00:02:06 -05:00
f2f7bcfa5a
add new false positive
2018-12-11 23:45:27 -05:00
d15e4b1546
Merge branch 'master' into remove-reax-meam
2018-12-11 23:31:48 -05:00
c4f7b36dc5
whitespace cleanup
2018-12-11 23:14:43 -05:00
ba98cff5a8
avoid merge conflict
2018-12-11 23:03:01 -05:00
04b365818e
fix typo
2018-12-11 23:01:52 -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
113a2e328e
Change fix nvt/sllod to allow suffix styles of fix deform
2018-12-11 10:47:34 -07:00
ad1b1897d8
Merge pull request #1253 from akohlmey/final-cosmetic-changes
...
Final cosmetic changes for stable release, update version.
2018-12-11 12:39:04 -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
8422bf64fa
prevent configuring -D PKG_USER-ATC=yes with -D LAMMPS_SIZES=bigbig in CMake
2018-12-10 17:42:38 -05:00
70868ca070
remove extra line from PDF manual config
2018-12-10 15:31:38 -05:00
30017697e3
update src/.gitignore and src/Purge.list for removed styles
2018-12-10 15:20:39 -05:00
0b5c273e2d
update examples for removal of reax and meam
2018-12-10 15:16:34 -05:00
052828284d
fix typo
2018-12-10 14:53:31 -05:00
1933c2eb5f
next chunk of documentation changes for the removal of REAX and MEAM
2018-12-10 14:51:21 -05:00
