18cacb8e1d
ignore *.mod generated by fortran compilers
2016-09-13 09:36:19 -04:00
e53862ca4a
update html file updated boundary.txt file
2016-09-11 14:55:13 -04:00
a64eb330e3
document how using shrink-wrap boundaries can cause lost atoms in parallel
2016-09-11 14:48:37 -04:00
d70e051ecd
update docs for lj/sf/dipole/sf
2016-09-09 10:00:15 -04:00
37833b537b
restore c++ marker in header comment
2016-09-09 09:43:21 -04:00
5fcbfa8248
simplify phonon code some more
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(cherry picked from commit 1c54dc77ea
2016-09-09 09:40:52 -04:00
c437195928
simplify code
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(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
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(cherry picked from commit ae691ab786
2016-09-09 09:37:17 -04:00
c3e8cb2f30
fix typo in comments
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(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
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(cherry picked from commit 2b53f80392
2016-09-09 07:39:09 -04:00
dd34feb2bd
Merge branch 'small' into integration
2016-09-08 14:35:36 -06:00
2524c5b526
Merge branch 'small-bugfixes' of https://github.com/akohlmey/lammps into small
2016-09-08 14:31:27 -06:00
b866e0663b
Merge pull request #24 from rbberger/info_command_styles
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Info command extensions
2016-09-08 14:16:41 -06:00
5d0da95a0b
Merge pull request #23 from akohlmey/doc-corrections-and-updates
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Doc corrections and updates
2016-09-08 14:15:56 -06:00
07e55ef61e
Merge pull request #22 from akohlmey/colvars-update
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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
1f901c9b2d
Update generated HTML docs of info command
2016-09-08 09:53:57 -04:00
79b8f6320d
Update docs of info command
2016-09-08 09:53:14 -04:00
2dcfb51d18
Change info command styles syntax
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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
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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
0fe7d1d361
correct internal links for Modify LAMMPS section
2016-09-07 10:13:34 -04:00
346ff42498
correct reference in modify section
2016-09-07 10:10:12 -04:00
5feedbd829
regenerate html pages with new txt2rst tool
2016-09-07 10:09:53 -04:00
44ce6fac4b
replace backquote with regular quote and `` + '' with double quote.
2016-09-07 08:29:16 -04:00
70d6718aa3
Update discussion on parallel python packages. There seem to be only two left.
2016-09-07 07:42:06 -04:00
348b677148
Make formatting and links more consistent and unique
2016-09-07 07:41:17 -04:00
4c783ea3b7
Enforce l,ule or l,ole command order for RST
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(cherry picked from commit 79e867c213
2016-09-07 02:16:55 -04:00
9e8256aeb0
Refactored code and escape RST special character '_'
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(cherry picked from commit 4629a464f7
2016-09-07 02:16:55 -04:00
925f1bfb6f
Escape RST special character '^' and take care of special math cases
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(cherry picked from commit 453521c8e6
2016-09-07 02:16:55 -04:00
3f312244a0
Escape RST special character '*' in final output
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(cherry picked from commit 7cb39811d4
2016-09-07 02:16:54 -04:00
55022d1263
replace :l,ule and :l,ole with :l :ule or :l :ole
2016-09-07 02:11:59 -04:00
