ebabc8f0bc
Merge remote-tracking branch 'lammps-rw/integration' into update-neighbor
2016-09-09 15:46:20 -04:00
232abf8534
restore locale and enforce grep option squashing
2016-09-09 15:42:14 -04:00
3842aa6095
forward skip lists /omp neighbor list builds to non-omp implementations
2016-09-09 15:23:40 -04:00
212c2617f6
delete a couple more files, that don't belong into src/
2016-09-09 14:56:23 -04:00
40f85c93ba
corrected mismatched free() vs. delete[]
2016-09-09 14:10:42 -04:00
2f02d98469
remove USER-DPD files that should not be where they are
2016-09-09 13:53:07 -04:00
81fcbcd99c
USER-DPD: move nstencil_ssa out of core LAMMPS into USER-DPD
2016-09-09 12:19:54 -04:00
82c6eb4675
USER-DPD: Set missing NP_HALF flag in npair_half_bin_newton_ssa.h
2016-09-09 12:19:36 -04:00
8ed3f4226e
USER-DPD: move custom binning stuff to a NBinSSA child class.
...
Removes most SSA specific fields from class NeighList.
2016-09-09 12:19:06 -04:00
9b7a0d7e1c
Update gitignore for the new USER-DPD source files.
2016-09-09 12:18:51 -04:00
37833b537b
restore c++ marker in header comment
2016-09-09 09:43:21 -04:00
5fcbfa8248
simplify phonon code some more
...
(cherry picked from commit 1c54dc77ea
2016-09-09 09:40:52 -04:00
c437195928
simplify code
...
(cherry picked from commit 3575913379
2016-09-09 09:40:52 -04:00
8b1ef1c686
import updated pair lj/sf/dipole/sf files from sam genheden
...
(cherry picked from commit ae691ab786
2016-09-09 09:37:17 -04:00
c3e8cb2f30
fix typo in comments
...
(cherry picked from commit 7875009218
2016-09-09 09:34:17 -04:00
365707704c
update error message to be consistent with other styles
2016-09-09 09:19:15 -04:00
16323ba391
require an atom map for compute voronoi/atom occupation
...
(cherry picked from commit 2b53f80392
2016-09-09 07:39:09 -04:00
4b22443b25
Add feature category to is_available function
...
This allows checking if the LAMMPS binary/library was compiled with PNG, JPEG,
FFMPEG, GZIP, or exceptions support.
Usage:
```
is_available(feature,gzip)
is_available(feature,png)
is_available(feature,jpeg)
is_available(feature,ffmpeg)
is_available(feature,exceptions)
```
2016-09-09 05:09:45 -04:00
5c927ca839
Merge remote-tracking branch 'lammps-rw/integration' into vashishta-tabulation
2016-09-08 17:22:21 -04:00
4bb42be3cc
implement vashishta/table/omp in USER-OMP
2016-09-08 17:22:03 -04:00
2524c5b526
Merge branch 'small-bugfixes' of https://github.com/akohlmey/lammps into small
2016-09-08 14:31:27 -06:00
fe581e8ced
Merge remote-tracking branch 'lammps-rw/integration' into vashishta-tabulation
2016-09-08 16:21:05 -04:00
b866e0663b
Merge pull request #24 from rbberger/info_command_styles
...
Info command extensions
2016-09-08 14:16:41 -06:00
5d0da95a0b
Merge pull request #23 from akohlmey/doc-corrections-and-updates
...
Doc corrections and updates
2016-09-08 14:15:56 -06:00
07e55ef61e
Merge pull request #22 from akohlmey/colvars-update
...
accumulated colvars library update and lib "make clean" improvement
2016-09-08 14:14:49 -06:00
236ebf7fab
Kokkos lib update
2016-09-08 13:56:18 -06:00
a6df1e53b4
ignore all variants of the vashishta pair styles in src/
2016-09-08 14:46:09 -04:00
9b2d5ff3e7
remove executable permissions on non-executables and non-scripts
2016-09-08 14:45:07 -04:00
c33e1049d8
delete duplicate fclose() in fix ttm/mod constructor
2016-09-08 11:51:22 -04:00
2dcfb51d18
Change info command styles syntax
...
Change to `info styles [all|atom|pair|compute|...]`.
By default, `info styles` will print all styles.
2016-09-08 09:38:52 -04:00
ba2b523bf4
Use factory for region style creation
2016-09-08 09:38:51 -04:00
fd2b886422
Use factory for dump style creation
2016-09-08 09:38:51 -04:00
9952d8a210
Use factory for minimize style creation
2016-09-08 09:38:51 -04:00
85c132943e
Use factory for integrate style creation
2016-09-08 09:38:48 -04:00
55260ad53e
Add missing delete in destructor
2016-09-08 09:32:48 -04:00
a1e5fc0fca
Use factory for AtomVec style creation
2016-09-08 09:32:48 -04:00
88e10b401d
Cleanup force.h after refactoring
2016-09-08 09:32:48 -04:00
1d03913aa3
Use factory for kspace style creation
2016-09-08 09:32:48 -04:00
0745a9f33f
Use factory for improper style creation
2016-09-08 09:32:48 -04:00
906c50223a
Use factory for dihedral style creation
2016-09-08 09:32:47 -04:00
35bdeb63e2
Use factory for angle style creation
2016-09-08 09:32:47 -04:00
69c58ef0d5
Use factory for bond style creation
2016-09-08 09:32:47 -04:00
95ee6440ad
Use pair_map to list pair styles
2016-09-08 09:32:47 -04:00
00b08bb5e1
Use compute_map and fix_map to list compute and fix styles
2016-09-08 09:32:47 -04:00
e483cb9ef9
Use command_map to list command styles
2016-09-08 09:32:47 -04:00
06e3a11c2d
Add styles output to info command
...
Adds the ability to list all available styles in LAMMPS with:
```
info styles
```
Each style can also be printed separately using one of the following:
```
info atom_styles
info integrate_styles
info minimize_styles
info pair_styles
info bond_styles
info angle_styles
info dihedral_styles
info improper_styles
info kspace_styles
info fix_styles
info compute_styles
info region_styles
info dump_styles
```
2016-09-08 09:32:46 -04:00
c9c2ae6c61
new neighbor list changes
2016-09-07 13:42:58 -06:00
7e8440cbab
undo changes to vashishita/omp
2016-09-07 12:02:38 -06:00
43b05a60c7
created vashishta/table variant
2016-09-07 11:56:38 -06:00
44ce6fac4b
replace backquote with regular quote and `` + '' with double quote.
2016-09-07 08:29:16 -04:00
