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Diffusion lammps (lammm-devel) Graph

lammps/lib/colvars
lammm-devel

History Graph

CommitAuthorDetailsCommitted
d90aad887eb6Giacomo Fiorin
Add Lepton library within lib/colvars 
Oct 9 2017
f1fce64ff9dfGiacomo Fiorin
Fix small typo to calculation of accumulated work in Colvars 
Sep 14 2017
c46d5ff422c2Steve Plimpton/GitHub
Merge pull request #612 from giacomofiorin/colvars-update-2017-08-10 
Aug 17 2017
6d24be8bb70fAxel Kohlmeyer
whitespace cleanup 
Aug 11 2017
da01be7c1857Giacomo Fiorin
More robust change from initial to target restraint centers in Colvars 
Aug 10 2017
135b1650f11cAxel Kohlmeyer
revamp of library builds 
Aug 7 2017
0427f6205ec5Axel Kohlmeyer
fix typo 
Jul 27 2017
1b704bab18baAxel Kohlmeyer
Merge branch 'colvars-safer-makefiles' of https://github. 
Jul 20 2017
c98f6140e755Giacomo Fiorin
Change order of targets in Makefiles for Colvars 
Jul 20 2017
5031f5b8079cGiacomo Fiorin
Comment out use by Colvars of Makefile.lammps from other packages 
Jul 20 2017
9d0d90c03860Axel Kohlmeyer
README clarification from giacomo 
Jul 20 2017
66154e8a8b31Axel Kohlmeyer
avoid makefile failure, if LAMMPS has not been configured yet 
Jul 20 2017
ef9fb944c727Giacomo Fiorin
Detect number of processors for make 
Jul 20 2017
187a80be7738Giacomo Fiorin
Add forgotten decode() in Install.py 
Jul 20 2017
ee6cac826e65Giacomo Fiorin
Update Colvars to version 2017-07-15 and support automated builds for it 
Jul 19 2017
addd87c0f7a4Steve Plimpton
new Section package and start doc pages and build scripts 
May 4 2017
5fe620663813Giacomo Fiorin
Update Colvars module to version 2017-03-10 
Mar 10 2017
b0263e87bbaaGiacomo Fiorin
Fix missing force with extended-Lagrangian mass 
Dec 27 2016
f553e230dbcbGiacomo Fiorin
Update Colvars library to version 2016-12-22 
Dec 27 2016
6ab716164b43Giacomo Fiorin
Fix seg fault for gyration collective variable 
Dec 27 2016
7a45c72b9735Giacomo Fiorin
Allow extended Lagrangian on non-scalar collective variables 
Dec 27 2016
182141b85005Giacomo Fiorin
Make SMP parallelism for Colvars optional 
Oct 24 2016
e02505c8cc33Giacomo Fiorin
Add ensemble-biased metadynamics (Fabrizio Marinelli, NIH) 
Oct 24 2016
be2d155cef25Giacomo Fiorin
Minor changes and fixes not relevant to LAMMPS 
Oct 24 2016
c2430939809eGiacomo Fiorin
Fix wall forces and subtractAppliedForce for extended-Lagrangian ABF 
Oct 24 2016
ad57a17f48c8Giacomo Fiorin
Add C-linkage wrapper for colvarscript (useful with ctypes) 
Oct 24 2016
683689c80807Axel Kohlmeyer
revert to previous style conventions for size_t constants 
Oct 8 2016
e01e90eb965cAxel Kohlmeyer
workaround for double free issue when using USER-COLVARS with lammps code… 
Oct 8 2016
8809a603fb2dGiacomo Fiorin
Colvars update: issue a warning that cannot be ignored regarding total forces 
Oct 6 2016
969d3cf4b0c4Giacomo Fiorin
Colvars update: make ABF check that the colvar isn't using already… 
Oct 6 2016
6d200061ca64Axel Kohlmeyer
update colvars library to version 2016-09-30 
Sep 30 2016
484122b8b610sjplimp
sync with GH 
Sep 16 2016
b190abea390esjplimp
sync with GH 
Sep 8 2016
efaa84a4eab8sjplimp
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Aug 3 2016
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Jul 27 2016
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Jul 16 2016
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Jun 18 2016
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Jun 2 2016
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May 12 2016
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Apr 30 2016
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Apr 28 2016
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Apr 15 2016
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Apr 15 2016
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Apr 14 2016
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Mar 1 2016
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Feb 18 2016
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Oct 23 2015
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Sep 9 2015
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Jul 22 2015
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Apr 30 2015
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Apr 30 2015
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Apr 6 2015
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Mar 9 2015
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Feb 19 2015
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Dec 2 2014
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Oct 28 2014
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Oct 7 2014
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Oct 7 2014
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Aug 15 2014
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Aug 15 2014
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Jun 3 2014
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May 12 2014
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Apr 18 2014
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Feb 1 2014
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Oct 30 2013
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Sep 23 2013
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Jun 28 2013
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Jun 28 2013
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May 30 2013
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May 30 2013
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Apr 23 2013
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Feb 1 2013
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Nov 30 2012
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Oct 23 2012
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Aug 23 2012
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Aug 23 2012
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Aug 14 2012
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Jun 29 2012
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Jun 1 2012
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8162 f3b2605a-c512-4ea7… 
May 23 2012
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