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Diffusion lammps (runner) Graph

lammps/tools/msi2lmp
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History Graph

CommitAuthorDetailsCommitted
7b8a96ee8cefAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jun 1 2016
d7c50255302fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15068 f3b2605a-c512-4ea7… 
May 31 2016
f5cf3008dd79Axel Kohlmeyer
added new (fast/small) test example for PCFF with ignore flag set 
Jan 3 2016
1e9a4cc4b808Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Oct 31 2015
0aa77408f808sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7… 
Oct 30 2015
01e0beda67a0sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14218 f3b2605a-c512-4ea7… 
Oct 30 2015
86948924ca6cAxel Kohlmeyer
rephrase msi2lmp force field error message 
Oct 24 2015
97cd8b401e07Axel Kohlmeyer
update reference data for current version of msi2lmp and LAMMPS 
Oct 24 2015
adfaeadf6376Axel Kohlmeyer
add opls-aa test with decane molecules 
Oct 24 2015
104d5890b2e1Axel Kohlmeyer
step version number and document changes 
Oct 24 2015
94618089ad2cAxel Kohlmeyer
add CT-CT-CT-CT torsion parameter to the OPLS/AA force field file 
Oct 24 2015
e1ae2b2e65c9Axel Kohlmeyer
more support for static compilation with cross-compiler. 
Jan 15 2015
e5aebaf21269Axel Kohlmeyer
safer parsing of force field data 
Oct 29 2014
89c7a5df328bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12504 f3b2605a-c512-4ea7… 
Sep 12 2014
60d5b70bdd0bAxel Kohlmeyer
add test case for larger system names 
Sep 12 2014
faa059f09792Axel Kohlmeyer
refactored MDF file reader in msi2lmp to handle long names consistently 
Sep 11 2014
4e3bc9d059a9sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12053 f3b2605a-c512-4ea7… 
May 30 2014
fe52a042a365Axel Kohlmeyer
implement force style hints for coefficient entries a la topotools 
May 28 2014
430aed042a86Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Mar 20 2014
544bf593c501sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11643 f3b2605a-c512-4ea7… 
Mar 19 2014
e3256bea3f87Axel Kohlmeyer
small documentation update 
Mar 18 2014
573db9e2f7e7Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Mar 12 2014
c805aa4c6179Axel Kohlmeyer
make writing style hints optional via flag for backward compatibility 
Mar 10 2014
3f7d79ab82absjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11605 f3b2605a-c512-4ea7… 
Mar 10 2014
d9b8b60b10bdAxel Kohlmeyer
update data file with pre-style marker versions 
Mar 7 2014
665464b6815dAxel Kohlmeyer
have a consistent msi2lmp version string through a define 
Mar 7 2014
7119cc94b4d6Axel Kohlmeyer
add second test case with triclinic cell 
Mar 7 2014
3ce3bfea5ecdAxel Kohlmeyer
bugfix for triclinic cells 
Mar 7 2014
dc1278ee51e6Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Nov 5 2013
5f9001a59de0sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10935 f3b2605a-c512-4ea7… 
Nov 4 2013
a886c8450a0fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10905 f3b2605a-c512-4ea7… 
Oct 30 2013
0f1efa0c79d6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10904 f3b2605a-c512-4ea7… 
Oct 30 2013
3285598d8dabsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10903 f3b2605a-c512-4ea7… 
Oct 30 2013
5ec1f8057e6dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10902 f3b2605a-c512-4ea7… 
Oct 30 2013
bf7d7bbbbdb5Axel Kohlmeyer
add comments indicating the atom type/name string to the output 
Oct 26 2013
566bfaa0739fAxel Kohlmeyer
delete obsolete test input 
Oct 26 2013
7c2fee933ecaAxel Kohlmeyer
added new test case for class1 and class2 
Oct 8 2013
e8653aaafdcaAxel Kohlmeyer
add contributed parameters 
Oct 8 2013
db31687e64abAxel Kohlmeyer
update version number in written data file 
Oct 8 2013
05dd9fe9fb5dAxel Kohlmeyer
msi2lmp bugfix and cleanup 
Oct 8 2013
2ea115cfc2ecsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10663 f3b2605a-c512-4ea7… 
Aug 23 2013
f143f1a5465dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10662 f3b2605a-c512-4ea7… 
Aug 23 2013
ebe6ead34839sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10534 f3b2605a-c512-4ea7… 
Aug 5 2013
7b1a0c4b1f70sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10524 f3b2605a-c512-4ea7… 
Aug 2 2013
0ce4185a7cbdsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10523 f3b2605a-c512-4ea7… 
Aug 2 2013
69d7e0a82341sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10522 f3b2605a-c512-4ea7… 
Aug 2 2013
e3300dd7b36asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10521 f3b2605a-c512-4ea7… 
Aug 2 2013
4746837b5e25sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10317 f3b2605a-c512-4ea7… 
Jul 24 2013
1d95bd961d33sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10287 f3b2605a-c512-4ea7… 
Jul 23 2013
8f9c6b5a0214sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10286 f3b2605a-c512-4ea7… 
Jul 23 2013
bec0c049d838sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10276 f3b2605a-c512-4ea7… 
Jul 23 2013
268c782771f1sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10275 f3b2605a-c512-4ea7… 
Jul 23 2013
9034be4e5e43sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10274 f3b2605a-c512-4ea7… 
Jul 23 2013
720663347453sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10210 f3b2605a-c512-4ea7… 
Jul 1 2013
da71a6b97383sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10209 f3b2605a-c512-4ea7… 
Jul 1 2013
311d2b0a0c89sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8514 f3b2605a-c512-4ea7… 
Jul 30 2012
cd6cff618686sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6999 f3b2605a-c512-4ea7… 
Sep 23 2011
1ab03c7ee003sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6998 f3b2605a-c512-4ea7… 
Sep 23 2011
458150a9fe81sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6249 f3b2605a-c512-4ea7… 
May 30 2011
670000000751sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1559 f3b2605a-c512-4ea7… 
Mar 1 2008
36268e98147asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@905 f3b2605a-c512-4ea7… 
Sep 27 2007
60c7f745b9b7sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@27 f3b2605a-c512-4ea7… 
Sep 27 2006
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