|
|
cdf2f66c0a
|
delete empty lines at the end of files
|
2020-01-31 14:03:52 -05:00 |
|
|
|
ce10fd01a8
|
remove redundant/obsolete link definitions
|
2020-01-31 14:00:53 -05:00 |
|
|
|
56ff70de70
|
Merge pull request #1860 from akohlmey/collected-small-changes
Collected small changes for next patch release
|
2020-01-31 12:21:17 -05:00 |
|
|
|
6424883daf
|
apply revisions suggested by @sjplimp
|
2020-01-31 10:52:31 -05:00 |
|
|
|
ed628a2de7
|
remove some more unneeded backslash escapes and fix up a few more doc links
|
2020-01-31 09:01:26 -05:00 |
|
|
|
e4cf0a07a0
|
remove more \_ escapes from doc anchors and a bunch of other issues found in the process
|
2020-01-31 00:45:13 -05:00 |
|
|
|
292fc77dce
|
correct broken links to commands
|
2020-01-30 12:55:59 -05:00 |
|
|
|
eb7958d04c
|
update documentation for pair_modify to reflect code changes and clarify the use of special
|
2020-01-30 12:55:25 -05:00 |
|
|
|
5962e880d4
|
remove some unneeded backslash escapes
|
2020-01-29 14:33:36 -05:00 |
|
|
|
9427fc50a5
|
Update Colvars library to version 2020-01-27
One new feature (arithmetic path variables) and several smaller enhancements
or bugfixes.
Fix error check when loading an old state file
https://github.com/Colvars/colvars/pull/317
Get default values for grid boundaries when available
https://github.com/Colvars/colvars/pull/310
Allow redefining existing index groups (warn when this happens)
https://github.com/Colvars/colvars/pull/302
Simplified replica communication syntax in metadynamics
https://github.com/Colvars/colvars/pull/301
Obtain the bias_energy for ABF biases
https://github.com/Colvars/colvars/pull/294
Fix reading path file with vector CVCs
https://github.com/Colvars/colvars/pull/288
Fix segfault at deleting CVBasedPath
https://github.com/Colvars/colvars/pull/286
Parrinello's (arithmetic) pathCV in CV space
https://github.com/Colvars/colvars/pull/274
Fix race condition when starting a bundle of walkers
https://github.com/Colvars/colvars/pull/279
|
2020-01-28 14:15:05 -05:00 |
|
|
|
ec381964e4
|
Merge branch 'master' into remove-txt-files
# Conflicts:
# doc/src/Build_settings.rst
|
2020-01-24 21:32:24 -05:00 |
|
|
|
9d333c351a
|
Small clarification to kspace_style.rst
|
2020-01-24 14:42:40 -07:00 |
|
|
|
0302c0ba24
|
correct malformed tables
|
2020-01-24 12:30:15 -05:00 |
|
|
|
c9cc13c2a6
|
add mpi4py url and expand/update the python with MPI introduction
|
2020-01-24 11:27:43 -05:00 |
|
|
|
72d8bea459
|
remove backslash escapes for underscore in doc references
|
2020-01-23 16:52:38 -05:00 |
|
|
|
df23460e18
|
Merge branch 'master' into fft
# Conflicts:
# src/MAKE/OPTIONS/Makefile.kokkos_cuda_mpi
|
2020-01-23 00:22:38 -05:00 |
|
|
|
958b8d96a9
|
expand explanations about setting the python version for the python wrapper
|
2020-01-23 00:14:44 -05:00 |
|
|
|
30444b344b
|
Merge pull request #1853 from akohlmey/collected-small-changes
Collected small changes and bugfixes for the next patch release
|
2020-01-22 17:25:03 -05:00 |
|
|
|
9a27aa4e9e
|
Merge branch 'master' into fft
# Conflicts:
# src/MAKE/OPTIONS/Makefile.kokkos_cuda_mpi
|
2020-01-22 15:21:08 -05:00 |
|
|
|
40e0e78abd
|
import template atom ID check from PR #1822
|
2020-01-22 15:02:55 -05:00 |
|
|
|
8a1f893b43
|
repair incorrect conversions on [*] expressions by txt2rst
|
2020-01-22 13:20:04 -05:00 |
|
|
|
f7dc70a986
|
add new error/warning messages to documentation
|
2020-01-21 16:05:55 -05:00 |
|
|
|
a6f59a8607
|
Merge remote-tracking branch 'github/master' into Ncreate_atoms
# Conflicts:
# src/create_atoms.cpp
|
2020-01-21 15:52:01 -05:00 |
|
|
|
90ff2eb6c9
|
modified versions of creating atoms on subset of lattice, ditto for set type/fraction
|
2020-01-21 13:31:47 -07:00 |
|
|
|
4ea679dd54
|
Merge branch 'master' into nparticles
|
2020-01-21 13:26:03 -07:00 |
|
|
|
405eb63a51
|
update sphinx extension to automatically pad lists to fill tables and avoid errors processing the documentation
|
2020-01-21 11:39:29 -05:00 |
|
|
|
3db920b8a6
|
fix minor issues with docs
|
2020-01-20 17:03:54 -05:00 |
|
|
|
12de17621f
|
Merge branch 'master' into collected-small-changes
# Conflicts:
# doc/src/Commands_fix.rst
|
2020-01-20 16:59:42 -05:00 |
|
|
|
795a872bf3
|
Merge pull request #1847 from pdebuyl/fix-active
Add fix propel/self
|
2020-01-20 16:57:04 -05:00 |
|
|
|
f03cfba029
|
Merge pull request #1820 from ornladios/adios_read_dump
Support read_dump with dump style 'adios'
|
2020-01-20 16:27:09 -05:00 |
|
|
|
44a814ec1d
|
Added 'timeout <value>' option to the adios reader, so that a rerun can concurrently run with the first simulation
|
2020-01-20 15:52:21 -05:00 |
|
|
|
8ed271f16f
|
change mode of propel/self to quat instead of quaternion
|
2020-01-20 17:41:20 +01:00 |
|
|
|
a1864f8bfd
|
Fix commands table
|
2020-01-20 10:11:34 -05:00 |
|
|
|
95b4613e16
|
Added documentation for 'read_dump ... format adios' command and fixed links and names for 'dump atom/adios' and 'dump custom/adios' commands.
|
2020-01-20 09:23:35 -05:00 |
|
|
|
43c184983e
|
Fix lj/cut/tip4p/long/gpu name in docs
|
2020-01-20 03:39:16 +03:00 |
|
|
|
5e740c9cc5
|
documentation and examples cleanup for fix propel/self
- rename example folder
- remove .txt format docs
- remove obsolete fix active sources
- update readme in src/USER-MISC
- replace non-ASCII characters and fix spelling issues
|
2020-01-19 13:29:52 -05:00 |
|
|
|
4c8a857960
|
Merge branch 'master' into fix-active-rebase-5
|
2020-01-17 22:11:55 +01:00 |
|
|
|
2c86c79dbb
|
correct issue with command table for fix styles
|
2020-01-16 14:04:48 -05:00 |
|
|
|
ef2ac8aa26
|
convert updated docs to rst and remove .txt sources
|
2020-01-16 14:04:14 -05:00 |
|
|
|
9f018b9aa2
|
make list of fixes have a multiple of 6 number of entries
|
2020-01-15 17:40:51 -05:00 |
|
|
|
f1c79fb914
|
Merge pull request #1096 from ProfessorMiller/master
Changes to the NH fix enabling Cauchy stress control (Cauhchystat) du…
|
2020-01-15 17:35:03 -05:00 |
|
|
|
3efc5b0b64
|
Merge pull request #1841 from phankl/stable
Mesoscopic potential for carbon nanotubes
|
2020-01-15 16:31:40 -05:00 |
|
|
|
90d5f7be01
|
Merge remote-tracking branch 'cntmeso/stable' into ph-cntmeso
# Conflicts:
# doc/src/pair_mesocnt.rst
|
2020-01-15 13:54:37 -05:00 |
|
|
|
34bc3b1b2e
|
changed documentation format to .rst
|
2020-01-15 18:23:45 +00:00 |
|
|
|
51f41d4559
|
add missing rst format doc file
|
2020-01-15 13:05:28 -05:00 |
|
|
|
97bcce77d3
|
update documentation to rst format and integrate into lists/tables
|
2020-01-15 11:52:49 -05:00 |
|
|
|
2f1e3d8490
|
Merge branch 'master' into ph-cntmeso
# Conflicts:
# doc/src/pairs.txt
|
2020-01-15 11:45:14 -05:00 |
|
|
|
a8d27efbe7
|
fixed typos in documenation, added words to false positives for spell check
|
2020-01-15 14:33:52 +00:00 |
|
|
|
198a40ada6
|
fixed typo in documentation
|
2020-01-15 11:43:11 +00:00 |
|
|
|
9ef984daaa
|
added documentation
|
2020-01-15 11:04:43 +00:00 |
|
