b0cf1ded38
Merge pull request #229 from akohlmey/small-corrections
...
collected various small corrections and updates
2016-10-19 08:57:54 -06:00
393337e7cf
Merge pull request #226 from akohlmey/pair-gauss-mixing
...
add mixing support for pair styles gauss and gauss/cut
2016-10-19 08:37:32 -06:00
566effc9c9
account for new fix halt properly in PDF and online docs
2016-10-19 09:08:20 -04:00
7b7cb297e6
add mixing for pair styles gauss and gauss/cut contributed by andrew jewett. also add support for write_data.
2016-10-18 22:26:47 -04:00
5a6dea7a22
Merge branch 'master' into user-nc-dump
2016-10-18 15:36:18 -04:00
2106dce2b3
new fix halt command, other sundry small bug fixes
2016-10-18 13:11:40 -06:00
e4ff8128f1
fix typo
...
(cherry picked from commit c65fb0e311
2016-10-16 12:29:53 -04:00
d11363c7eb
Merge pull request #220 from rbberger/fix-doc-makefile
...
Allow building non-html doc targets without Python3 and virtualenv
2016-10-13 17:00:23 -06:00
2c8a7a318a
bug fix for fix GCMC w/ fix shake, enhance of fix wall/gran/region with restarting
2016-10-13 16:55:53 -06:00
95cca1bd9f
Allow building other targets without Python3 and virtualenv
2016-10-13 11:40:44 -04:00
63e71cd45b
patch to add DPD-VV
2016-10-12 07:35:47 -06:00
39a22039e9
correct broken link
2016-10-11 23:57:40 -04:00
e10ea91c5f
add doc file to toctree
2016-10-11 23:51:42 -04:00
b75860048b
updates for recent changes to the manual
2016-10-11 23:50:45 -04:00
69cb831705
import dump nc and dump nc/mpiio from lammps-netcdf as USER-NC-DUMP package by lars pastewka
2016-10-11 23:44:34 -04:00
0eb7fbf34d
tweaks to new USER-DPD docs
2016-10-11 15:43:59 -06:00
6f1162927a
Merge pull request #207 from timattox/USER-DPD_new_VV_for_DPD
...
USER-DPD: add support for using VV with DPD
2016-10-11 13:39:25 -06:00
04f5eadcf1
added LAST option to dump_modify thresh, more restart info printed out to screen
2016-10-11 12:39:52 -06:00
e70d530c46
Merge pull request #203 from rbberger/txt2rst-external-link-fix
...
txt2rst external link fix
2016-10-10 13:59:27 -06:00
144e6a8091
whitespace cleanup
2016-10-10 09:40:09 -04:00
72ac073412
edited documentation
...
(cherry picked from commit eff14c74b0
2016-10-10 09:38:54 -04:00
49c45ab03b
edited documentation
...
(cherry picked from commit fd560889c3
2016-10-10 09:38:53 -04:00
c2cd439944
first draft of documentation for respa
...
(cherry picked from commit d7dcbcfbd9
2016-10-10 09:38:53 -04:00
e27ed6c94a
USER-DPD: Added support to use VV integrator with USER-DPD if desired.
...
Includes documentation and examples.
NOTE: VV requires very small timesteps under isoenergetic conditions.
Consider using fix_shardlow instead, since this VV support is
primarily for comparison purposes.
2016-10-07 15:03:30 -04:00
7f3a7c5cbe
Fix broken link
2016-10-06 20:33:24 -04:00
e78b4267b7
Fix issue with external links containing anchors
2016-10-06 20:29:07 -04:00
e9fed80928
Merge pull request #202 from akohlmey/doc-formatting-fixes
...
collected documentation updates and corrections from LAMMPS-ICMS
2016-10-06 15:49:44 -06:00
b3d2fb91bb
new fix wall/gran/region command, REBO bug fix, new example log files
2016-10-06 15:47:41 -06:00
0b5d71537a
collected documentation updates and corrections from LAMMPS-ICMS
...
fixes formatting issues due to tabs, permission issues and
a few typos and badly worded text.
2016-10-06 15:48:18 -04:00
493873fb93
clean up doc src
2016-10-06 13:00:46 -06:00
c46be7db62
changes to imbalance weight factors
2016-10-05 10:33:39 -06:00
11c2892e54
Merge branch 'restrict-weights-and-weight-factors' of https://github.com/akohlmey/lammps
2016-10-04 09:49:09 -06:00
e079362776
Merge pull request #190 from akohlmey/small-bufixes-and-enhancements
...
Small bufixes and enhancements
2016-10-03 17:58:36 -06:00
c3ff8812b3
added XOR operator to variable command
2016-10-03 17:57:33 -06:00
1985db4fb1
correct designation of meam supporting USER-OMP and meam/spline not
2016-10-01 23:05:05 -04:00
d45e333f7c
restrict choice of weight factors and guarantee that weights are >= 0.001
2016-09-30 11:11:32 -04:00
6d200061ca
update colvars library to version 2016-09-30
2016-09-30 08:15:44 -04:00
446e7e7369
patch for allowing prd command to work with sorted atoms
2016-09-28 16:33:30 -06:00
829d11e88b
Merge pull request #44 from rbberger/doc-fixes
...
Some documentation fixes and IPython updates
2016-09-27 15:36:10 -06:00
96f31d6dad
Merge pull request #43 from akohlmey/doc-fixes
...
Documentation fixes
2016-09-27 15:35:41 -06:00
35705217f4
enable multi-processor NEB replicas
2016-09-27 15:34:08 -06:00
9a2f738673
sync with SVN
2016-09-27 15:32:57 -06:00
f9677e6d7b
released version of weighted balancing
2016-09-27 10:52:27 -06:00
a3277117e2
Add filter which merges preformatted sections
2016-09-26 18:52:43 -04:00
67d4c07689
Do not escape underscore inside preformat blocks
2016-09-26 18:52:31 -04:00
877a504933
Fix typo in Section_howto.txt
2016-09-26 18:44:25 -04:00
8a951f9d79
fix typo
2016-09-26 18:43:03 -04:00
69a8842ecb
update load balance weights documentation for fix balance and balance
2016-09-26 18:33:50 -04:00
7732548b3c
correct issues related to the addition of fix cmap
2016-09-26 18:14:32 -04:00
2c5f6e1a99
fix a broken link that slipped through the cracks in the previous cleanup
2016-09-26 18:13:18 -04:00
