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Diffusion lammps (lammm-devel) Graph

lammps/src/REPLICA/neb.cpp
lammm-devel

History Graph

CommitAuthorDetailsCommitted
4002dce63984Axel Kohlmeyer
restore explicit NAN constants in output 
May 23 2017
9008a3119009Axel Kohlmeyer
more formatting cleanup 
May 23 2017
f73fd0625d53Axel Kohlmeyer
rename nall class member to numall to avoid confusion with the common… 
May 22 2017
3fd91a239ff0Axel Kohlmeyer
avoid use '&&' and '||' instead of 'and' and 'or' for consistency 
May 22 2017
6ef79d371541Axel Kohlmeyer
silence several compiler warnings 
May 19 2017
c2bf3269acf4Axel Kohlmeyer
formatting cleanup. combine 8 MPI_Allreduce() calls into 1 
May 19 2017
8daba0115142Emile Maras
some small formating change but does not work anymore 
May 18 2017
640edbc1d40eEmile Maras
added several features to the NEB 
May 18 2017
56b0856e2febsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15661 f3b2605a-c512-4ea7… 
Sep 27 2016
f280bd32a669sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15647 f3b2605a-c512-4ea7… 
Sep 27 2016
eb8fdc4ab680sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14831 f3b2605a-c512-4ea7… 
Apr 15 2016
354e20f43157sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7… 
Oct 30 2015
9a878cdd6718sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14128 f3b2605a-c512-4ea7… 
Oct 21 2015
ce59e32d1cf6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13937 f3b2605a-c512-4ea7… 
Aug 28 2015
53d8975ee41asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12829 f3b2605a-c512-4ea7… 
Dec 13 2014
21ac09ad9c9csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12715 f3b2605a-c512-4ea7… 
Nov 18 2014
09168613150esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11777 f3b2605a-c512-4ea7… 
Apr 11 2014
1646c124b1c3sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11700 f3b2605a-c512-4ea7… 
Apr 4 2014
bad19033d015sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11250 f3b2605a-c512-4ea7… 
Jan 17 2014
28981227c42asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11077 f3b2605a-c512-4ea7… 
Nov 27 2013
9f945f1bb6casjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11023 f3b2605a-c512-4ea7… 
Nov 19 2013
67719c2cf2c3sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11004 f3b2605a-c512-4ea7… 
Nov 8 2013
b0007d45b732sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10199 f3b2605a-c512-4ea7… 
Jun 29 2013
ef9e70054573sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8226 f3b2605a-c512-4ea7… 
Jun 7 2012
173c6e393da9sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8087 f3b2605a-c512-4ea7… 
May 18 2012
16a2afc64205sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7310 f3b2605a-c512-4ea7… 
Dec 8 2011
19e8c92a906esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7003 f3b2605a-c512-4ea7… 
Sep 23 2011
aedbb28b6c34sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6486 f3b2605a-c512-4ea7… 
Jun 30 2011
7ce701da422csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6235 f3b2605a-c512-4ea7… 
May 28 2011
2b21f284c0absjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5849 f3b2605a-c512-4ea7… 
Mar 26 2011
fbb475b9cd1asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5835 f3b2605a-c512-4ea7… 
Mar 25 2011
05ebd9cf523bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5827 f3b2605a-c512-4ea7… 
Mar 25 2011
d51c47d9ab02sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5705 f3b2605a-c512-4ea7… 
Feb 22 2011
d5b494397e8esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5547 f3b2605a-c512-4ea7… 
Jan 14 2011
60b4b9eaa739sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5526 f3b2605a-c512-4ea7… 
Jan 11 2011
82ec94916df7sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5520 f3b2605a-c512-4ea7… 
Jan 11 2011
c69f3aea5756athomps
Added tad example 
Jan 5 2011
47392a29d1c1sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5312 f3b2605a-c512-4ea7… 
Nov 24 2010
86422df675e3athomps
Added potential gradient columns 
Oct 23 2010
a4ef8e330f1csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4990 f3b2605a-c512-4ea7… 
Oct 7 2010
8bec33642409sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4986 f3b2605a-c512-4ea7… 
Oct 6 2010
f4f63949b6b3sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4941 f3b2605a-c512-4ea7… 
Oct 1 2010
2c7f136bfcafsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4918 f3b2605a-c512-4ea7… 
Oct 1 2010
f248ae9071a3sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4916 f3b2605a-c512-4ea7… 
Oct 1 2010
2e730cfbad80sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4905 f3b2605a-c512-4ea7… 
Sep 30 2010
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