0264edfcec
provide example for how to set Tdamp correctly to 100 timesteps for all choices of unit
2018-11-16 16:27:47 -05:00
a66384cfea
update github tutorial/howto for recent changes in the development workflow
2018-11-16 16:27:05 -05:00
177733ecdd
Merge pull request #1211 from lammps/doc-hyper
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change warning to just a note
2018-11-16 12:11:54 -05:00
c5c26abdd3
change warning to just a note
2018-11-16 09:26:37 -07:00
11de8dafe3
Update Colvars library to version 2018-11-16
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Fixes several issues with running averages and time correlation function
computations. Details are in:
https://github.com/Colvars/colvars/issues/143
https://github.com/Colvars/colvars/issues/193
https://github.com/Colvars/colvars/pull/194
2018-11-16 09:57:07 -05:00
cf79751f4f
Merge pull request #1207 from akohlmey/next-patch-release
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Patch release 15 November 2018
2018-11-15 19:33:52 -05:00
090778c42b
Merge pull request #1204 from lammps/doc-plumed
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Linkage mode improvements and documentation updates for USER-PLUMED package
2018-11-15 13:48:58 -05:00
4d9e2a014b
add detailed build instructions and discussion of linkage modes for PLUMED library and USER-PLUMED package
2018-11-15 11:35:04 -05:00
8a4983e4bc
reformatting and simplification of fix plumed docs
2018-11-15 10:53:38 -05:00
82d6aa9add
interlink fixes colvars, plumed, and smd
2018-11-15 10:52:41 -05:00
4231ab3d57
correct some links
2018-11-15 10:52:03 -05:00
25914ea3f3
patch 15Nov2018
2018-11-15 10:17:25 -05:00
d0235dd018
remove cauchystat changes from fix_nh.cpp/.h/.txt (again). delete misplaced example that came back from the dead, too.
2018-11-14 17:22:31 -05:00
a4835fa7a6
Merge branch 'master' of https://github.com/ProfessorMiller/lammps
2018-11-14 09:42:32 -05:00
f46478e5ad
add missing file
2018-11-13 17:40:05 -05:00
32be742144
fix typo
2018-11-13 17:32:48 -05:00
ad764dbdfb
remove cauchystat changes from fix_nh.cpp/.h and fix_nh.txt
2018-11-13 17:23:39 -05:00
d1ff90eacf
copy and rename fix_nh.cpp/.h to USER-CAUCHY/fix_cauchy.cpp/.h related changes
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this moves the code into the corresponding folders, renames the classes, adds copies of the doc files, moves the examples, integrates the USER-CAUCHY package into the build system.
2018-11-13 17:18:37 -05:00
2c644c5f2e
Merge pull request #1197 from akohlmey/collected-small-fixes
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Collection of small changes and bugfixes for the next release
2018-11-13 15:18:09 -05:00
4805e1df22
doc page additions for USER-PLUMED package
2018-11-13 08:29:07 -07:00
a026ce9669
correct broken links detected by make mobi
2018-11-12 21:38:26 -05:00
7e779d16de
correct broken links in manual reported by 'make html'
2018-11-12 21:33:37 -05:00
0ca02b6f41
added new commands to doc pages, fixed a few missing entries as well
2018-11-12 17:23:15 -07:00
90caf0019c
fix doc page errors
2018-11-12 12:32:53 -07:00
3b7ebbb8df
new hyper examples
2018-11-12 12:32:53 -07:00
0c8ce199af
more updates to hyper docs
2018-11-12 12:32:52 -07:00
4a6f088c0b
updates to hyper doc pages
2018-11-12 12:32:52 -07:00
56598fcd0b
changes to prd command doc page
2018-11-12 12:32:52 -07:00
265c11dca9
more edits to hyper docs
2018-11-12 12:32:52 -07:00
d6631266ce
doc files in wrong dir
2018-11-12 12:32:52 -07:00
f68d77c7af
correct formatting
2018-11-09 08:03:58 -05:00
7a4f534676
replace non-ASCII character
2018-11-09 08:03:41 -05:00
729201ab93
fix typo reported in #1199
2018-11-09 08:03:19 -05:00
1651a21f92
Merge pull request #1198 from akohlmey/next-patch-release
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Patch release 9 November 2018
2018-11-08 20:49:49 -05:00
f2a29880e2
patch 9Nov2018
2018-11-08 16:48:43 -05:00
e0955f6434
Merge branch 'master' into sdpd to resolve merge conflicts
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# Conflicts:
# cmake/CMakeLists.txt
# src/Makefile
2018-11-08 16:32:02 -05:00
3681bc853d
Merge pull request #1195 from jrgissing/bond/react-custom_edges
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Bond/react: charge update for custom edges
2018-11-08 16:19:23 -05:00
a6e9b99295
Merge pull request #1180 from gtribello/master
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Add natively supported PLUMED interface to LAMMPS
2018-11-08 16:16:50 -05:00
29cd4eb5b6
Add HMA compute
2018-11-08 12:03:51 -05:00
a1e8992eac
replace non-ASCII characters
2018-11-06 22:21:19 -05:00
84fcf01bed
bond/react: allow custom update of charges near template edges
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also, fixes a bug introduced in PR #1189 , when not using stabilization
2018-11-06 19:59:22 -07:00
4e6253254c
Merge branch 'master' into user-cgdna
2018-11-06 19:48:06 +00:00
562296bdb7
Updated link to preprint article
2018-11-06 19:44:35 +00:00
91c4ef6f64
Merge pull request #1189 from jrgissing/bond/react-custom_group
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Bond/react custom group support
2018-11-06 10:32:06 -05:00
29ae88e309
Update docs for KIM
2018-11-05 09:37:35 -06:00
ab7aa9dfda
correction to fix group property doc
2018-11-05 00:49:33 -07:00
f7aa01d74a
bond/react: convert group-ID to group-ID-prefix
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enables consistent syntax when using custom groups
2018-11-03 11:57:46 -06:00
b7e507a258
fix typo and reformat
2018-11-02 21:08:45 -04:00
ea9746f26d
insert fix plumed docs into manual generation
2018-11-02 21:08:32 -04:00
85a5cab663
Update Colvars library to version 2018-10-16
2018-11-02 17:45:20 -04:00
