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Diffusion lammps (lammm-master-deprecated) Graph

lammps/tools/msi2lmp/README
lammm-master-deprecated

History Graph

CommitAuthorDetailsCommitted
104d5890b2e1Axel Kohlmeyer
step version number and document changes 
Oct 24 2015
faa059f09792Axel Kohlmeyer
refactored MDF file reader in msi2lmp to handle long names consistently 
Sep 11 2014
fe52a042a365Axel Kohlmeyer
implement force style hints for coefficient entries a la topotools 
May 28 2014
e3256bea3f87Axel Kohlmeyer
small documentation update 
Mar 18 2014
c805aa4c6179Axel Kohlmeyer
make writing style hints optional via flag for backward compatibility 
Mar 10 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
bf7d7bbbbdb5Axel Kohlmeyer
add comments indicating the atom type/name string to the output 
Oct 26 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
60ac646a0ce3Axel Kohlmeyer
rename $BIOSYM_LIBRARY to $MSI2LMP_LIBRARY and biosym_frc_files for frc_files 
Aug 2 2013
e3300dd7b36asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10521 f3b2605a-c512-4ea7… 
Aug 2 2013
dbae00bfce44Axel Kohlmeyer
import and adapt changes from jeff greathouse to support opls-aa 
Aug 2 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
e8f6cfdc1a78Axel Kohlmeyer
update readme 
Jul 18 2013
445566acb191Axel Kohlmeyer
add name/email 
Jul 12 2013
245f3d4a1e5cAxel Kohlmeyer
update readme 
Jul 12 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
753f665e40f2Axel Kohlmeyer
turn missing force field parameters into errors and implement command line flag… 
Jul 1 2013
1ab03c7ee003sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6998 f3b2605a-c512-4ea7… 
Sep 23 2011
60c7f745b9b7sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@27 f3b2605a-c512-4ea7… 
Sep 27 2006
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