History Graph
History Graph
Commit | Author | Details | Committed | |||
---|---|---|---|---|---|---|
7b8a96ee8cef | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Jun 1 2016 | |||
d7c50255302f | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15068 f3b2605a-c512-4ea7… | May 31 2016 | |||
f5cf3008dd79 | Axel Kohlmeyer | added new (fast/small) test example for PCFF with ignore flag set | Jan 3 2016 | |||
1e9a4cc4b808 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Oct 31 2015 | |||
0aa77408f808 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7… | Oct 30 2015 | |||
01e0beda67a0 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14218 f3b2605a-c512-4ea7… | Oct 30 2015 | |||
86948924ca6c | Axel Kohlmeyer | rephrase msi2lmp force field error message | Oct 24 2015 | |||
97cd8b401e07 | Axel Kohlmeyer | update reference data for current version of msi2lmp and LAMMPS | Oct 24 2015 | |||
adfaeadf6376 | Axel Kohlmeyer | add opls-aa test with decane molecules | Oct 24 2015 | |||
104d5890b2e1 | Axel Kohlmeyer | step version number and document changes | Oct 24 2015 | |||
94618089ad2c | Axel Kohlmeyer | add CT-CT-CT-CT torsion parameter to the OPLS/AA force field file | Oct 24 2015 | |||
e1ae2b2e65c9 | Axel Kohlmeyer | more support for static compilation with cross-compiler. | Jan 15 2015 | |||
e5aebaf21269 | Axel Kohlmeyer | safer parsing of force field data | Oct 29 2014 | |||
89c7a5df328b | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12504 f3b2605a-c512-4ea7… | Sep 12 2014 | |||
60d5b70bdd0b | Axel Kohlmeyer | add test case for larger system names | Sep 12 2014 | |||
faa059f09792 | Axel Kohlmeyer | refactored MDF file reader in msi2lmp to handle long names consistently | Sep 11 2014 | |||
4e3bc9d059a9 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12053 f3b2605a-c512-4ea7… | May 30 2014 | |||
fe52a042a365 | Axel Kohlmeyer | implement force style hints for coefficient entries a la topotools | May 28 2014 | |||
430aed042a86 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Mar 20 2014 | |||
544bf593c501 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11643 f3b2605a-c512-4ea7… | Mar 19 2014 | |||
e3256bea3f87 | Axel Kohlmeyer | small documentation update | Mar 18 2014 | |||
573db9e2f7e7 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Mar 12 2014 | |||
c805aa4c6179 | Axel Kohlmeyer | make writing style hints optional via flag for backward compatibility | Mar 10 2014 | |||
3f7d79ab82ab | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11605 f3b2605a-c512-4ea7… | Mar 10 2014 | |||
d9b8b60b10bd | Axel Kohlmeyer | update data file with pre-style marker versions | Mar 7 2014 | |||
665464b6815d | Axel Kohlmeyer | have a consistent msi2lmp version string through a define | Mar 7 2014 | |||
7119cc94b4d6 | Axel Kohlmeyer | add second test case with triclinic cell | Mar 7 2014 | |||
3ce3bfea5ecd | Axel Kohlmeyer | bugfix for triclinic cells | Mar 7 2014 | |||
dc1278ee51e6 | Axel Kohlmeyer | Merge remote branch 'lammps-ro/master' into lammps-icms | Nov 5 2013 | |||
5f9001a59de0 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10935 f3b2605a-c512-4ea7… | Nov 4 2013 | |||
a886c8450a0f | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10905 f3b2605a-c512-4ea7… | Oct 30 2013 | |||
0f1efa0c79d6 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10904 f3b2605a-c512-4ea7… | Oct 30 2013 | |||
3285598d8dab | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10903 f3b2605a-c512-4ea7… | Oct 30 2013 | |||
5ec1f8057e6d | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10902 f3b2605a-c512-4ea7… | Oct 30 2013 | |||
bf7d7bbbbdb5 | Axel Kohlmeyer | add comments indicating the atom type/name string to the output | Oct 26 2013 | |||
566bfaa0739f | Axel Kohlmeyer | delete obsolete test input | Oct 26 2013 | |||
7c2fee933eca | Axel Kohlmeyer | added new test case for class1 and class2 | Oct 8 2013 | |||
e8653aaafdca | Axel Kohlmeyer | add contributed parameters | Oct 8 2013 | |||
db31687e64ab | Axel Kohlmeyer | update version number in written data file | Oct 8 2013 | |||
05dd9fe9fb5d | Axel Kohlmeyer | msi2lmp bugfix and cleanup | Oct 8 2013 | |||
2ea115cfc2ec | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10663 f3b2605a-c512-4ea7… | Aug 23 2013 | |||
f143f1a5465d | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10662 f3b2605a-c512-4ea7… | Aug 23 2013 | |||
ebe6ead34839 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10534 f3b2605a-c512-4ea7… | Aug 5 2013 | |||
7b1a0c4b1f70 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10524 f3b2605a-c512-4ea7… | Aug 2 2013 | |||
0ce4185a7cbd | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10523 f3b2605a-c512-4ea7… | Aug 2 2013 | |||
69d7e0a82341 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10522 f3b2605a-c512-4ea7… | Aug 2 2013 | |||
e3300dd7b36a | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10521 f3b2605a-c512-4ea7… | Aug 2 2013 | |||
4746837b5e25 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10317 f3b2605a-c512-4ea7… | Jul 24 2013 | |||
1d95bd961d33 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10287 f3b2605a-c512-4ea7… | Jul 23 2013 | |||
8f9c6b5a0214 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10286 f3b2605a-c512-4ea7… | Jul 23 2013 | |||
bec0c049d838 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10276 f3b2605a-c512-4ea7… | Jul 23 2013 | |||
268c782771f1 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10275 f3b2605a-c512-4ea7… | Jul 23 2013 | |||
9034be4e5e43 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10274 f3b2605a-c512-4ea7… | Jul 23 2013 | |||
720663347453 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10210 f3b2605a-c512-4ea7… | Jul 1 2013 | |||
da71a6b97383 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10209 f3b2605a-c512-4ea7… | Jul 1 2013 | |||
311d2b0a0c89 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8514 f3b2605a-c512-4ea7… | Jul 30 2012 | |||
cd6cff618686 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6999 f3b2605a-c512-4ea7… | Sep 23 2011 | |||
1ab03c7ee003 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6998 f3b2605a-c512-4ea7… | Sep 23 2011 | |||
458150a9fe81 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6249 f3b2605a-c512-4ea7… | May 30 2011 | |||
670000000751 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1559 f3b2605a-c512-4ea7… | Mar 1 2008 | |||
36268e98147a | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@905 f3b2605a-c512-4ea7… | Sep 27 2007 | |||
60c7f745b9b7 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@27 f3b2605a-c512-4ea7… | Sep 27 2006 |
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