Diffusion lammps (lammm-master-deprecated) History

lammps/tools/msi2lmp
lammm-master-deprecateddadf60427b9760784fb17cc…

Jun 1 2016

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
7b8a96ee8cef
·Axel Kohlmeyer on Jun 1 2016, 12:35.

May 31 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15068 f3b2605a-c512-4ea7…
d7c50255302f
·sjplimp on May 31 2016, 15:58.

Jan 3 2016

added new (fast/small) test example for PCFF with ignore flag set
f5cf3008dd79
·Axel Kohlmeyer on Jan 3 2016, 22:21.

Oct 31 2015

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
1e9a4cc4b808
·Axel Kohlmeyer on Oct 31 2015, 15:54.

Oct 30 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7…
0aa77408f808
·sjplimp on Oct 30 2015, 20:46.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14218 f3b2605a-c512-4ea7…
01e0beda67a0
·sjplimp on Oct 30 2015, 20:44.

Oct 24 2015

rephrase msi2lmp force field error message
86948924ca6c
·Axel Kohlmeyer on Oct 24 2015, 07:20.
update reference data for current version of msi2lmp and LAMMPS
97cd8b401e07
·Axel Kohlmeyer on Oct 24 2015, 07:15.
add opls-aa test with decane molecules
adfaeadf6376
·Axel Kohlmeyer on Oct 24 2015, 06:55.
step version number and document changes
104d5890b2e1
·Axel Kohlmeyer on Oct 24 2015, 06:53.
add CT-CT-CT-CT torsion parameter to the OPLS/AA force field file
94618089ad2c
·Axel Kohlmeyer on Oct 24 2015, 05:31.

Jan 15 2015

more support for static compilation with cross-compiler.
e1ae2b2e65c9
·Axel Kohlmeyer on Jan 15 2015, 22:27.

Oct 29 2014

safer parsing of force field data
e5aebaf21269
·Axel Kohlmeyer on Oct 29 2014, 21:15.

Sep 12 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12504 f3b2605a-c512-4ea7…
89c7a5df328b
·sjplimp on Sep 12 2014, 16:13.
add test case for larger system names
60d5b70bdd0b
·Axel Kohlmeyer on Sep 12 2014, 09:30.

Sep 11 2014

refactored MDF file reader in msi2lmp to handle long names consistently
faa059f09792
·Axel Kohlmeyer on Sep 11 2014, 19:11.

May 30 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12053 f3b2605a-c512-4ea7…
4e3bc9d059a9
·sjplimp on May 30 2014, 15:48.

May 28 2014

implement force style hints for coefficient entries a la topotools
fe52a042a365
·Axel Kohlmeyer on May 28 2014, 00:02.

Mar 20 2014

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
430aed042a86
·Axel Kohlmeyer on Mar 20 2014, 15:50.

Mar 19 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11643 f3b2605a-c512-4ea7…
544bf593c501
·sjplimp on Mar 19 2014, 19:26.

Mar 18 2014

small documentation update
e3256bea3f87
·Axel Kohlmeyer on Mar 18 2014, 14:02.

Mar 12 2014

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
573db9e2f7e7
·Axel Kohlmeyer on Mar 12 2014, 22:43.

Mar 10 2014

make writing style hints optional via flag for backward compatibility
c805aa4c6179
·Axel Kohlmeyer on Mar 10 2014, 22:06.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11605 f3b2605a-c512-4ea7…
3f7d79ab82ab
·sjplimp on Mar 10 2014, 15:24.

Mar 7 2014

update data file with pre-style marker versions
d9b8b60b10bd
·Axel Kohlmeyer on Mar 7 2014, 15:02.
have a consistent msi2lmp version string through a define
665464b6815d
·Axel Kohlmeyer on Mar 7 2014, 12:17.
add second test case with triclinic cell
7119cc94b4d6
·Axel Kohlmeyer on Mar 7 2014, 00:08.
bugfix for triclinic cells
3ce3bfea5ecd
·Axel Kohlmeyer on Mar 7 2014, 00:06.

Nov 5 2013

Merge remote branch 'lammps-ro/master' into lammps-icms
dc1278ee51e6
·Axel Kohlmeyer on Nov 5 2013, 13:37.

Nov 4 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10935 f3b2605a-c512-4ea7…
5f9001a59de0
·sjplimp on Nov 4 2013, 17:59.

Oct 30 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10905 f3b2605a-c512-4ea7…
a886c8450a0f
·sjplimp on Oct 30 2013, 16:39.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10904 f3b2605a-c512-4ea7…
0f1efa0c79d6
·sjplimp on Oct 30 2013, 16:39.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10903 f3b2605a-c512-4ea7…
3285598d8dab
·sjplimp on Oct 30 2013, 16:38.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10902 f3b2605a-c512-4ea7…
5ec1f8057e6d
·sjplimp on Oct 30 2013, 16:38.

Oct 26 2013

add comments indicating the atom type/name string to the output
bf7d7bbbbdb5
·Axel Kohlmeyer on Oct 26 2013, 23:52.
delete obsolete test input
566bfaa0739f
·Axel Kohlmeyer on Oct 26 2013, 12:13.

Oct 8 2013

added new test case for class1 and class2
7c2fee933eca
·Axel Kohlmeyer on Oct 8 2013, 18:34.
add contributed parameters
e8653aaafdca
·Axel Kohlmeyer on Oct 8 2013, 18:33.
update version number in written data file
db31687e64ab
·Axel Kohlmeyer on Oct 8 2013, 18:33.
msi2lmp bugfix and cleanup
05dd9fe9fb5d
·Axel Kohlmeyer on Oct 8 2013, 15:57.

Aug 23 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10663 f3b2605a-c512-4ea7…
2ea115cfc2ec
·sjplimp on Aug 23 2013, 16:31.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10662 f3b2605a-c512-4ea7…
f143f1a5465d
·sjplimp on Aug 23 2013, 16:31.

Aug 5 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10534 f3b2605a-c512-4ea7…
ebe6ead34839
·sjplimp on Aug 5 2013, 16:11.

Aug 2 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10524 f3b2605a-c512-4ea7…
7b1a0c4b1f70
·sjplimp on Aug 2 2013, 17:06.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10523 f3b2605a-c512-4ea7…
0ce4185a7cbd
·sjplimp on Aug 2 2013, 17:06.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10522 f3b2605a-c512-4ea7…
69d7e0a82341
·sjplimp on Aug 2 2013, 17:05.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10521 f3b2605a-c512-4ea7…
e3300dd7b36a
·sjplimp on Aug 2 2013, 17:05.

Jul 24 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10317 f3b2605a-c512-4ea7…
4746837b5e25
·sjplimp on Jul 24 2013, 15:58.

Jul 23 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10287 f3b2605a-c512-4ea7…
1d95bd961d33
·sjplimp on Jul 23 2013, 17:14.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10286 f3b2605a-c512-4ea7…
8f9c6b5a0214
·sjplimp on Jul 23 2013, 17:13.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10276 f3b2605a-c512-4ea7…
bec0c049d838
·sjplimp on Jul 23 2013, 00:49.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10275 f3b2605a-c512-4ea7…
268c782771f1
·sjplimp on Jul 23 2013, 00:49.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10274 f3b2605a-c512-4ea7…
9034be4e5e43
·sjplimp on Jul 23 2013, 00:49.

Jul 1 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10210 f3b2605a-c512-4ea7…
720663347453
·sjplimp on Jul 1 2013, 15:54.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10209 f3b2605a-c512-4ea7…
da71a6b97383
·sjplimp on Jul 1 2013, 15:54.

Jul 30 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8514 f3b2605a-c512-4ea7…
311d2b0a0c89
·sjplimp on Jul 30 2012, 15:59.

Sep 23 2011

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6999 f3b2605a-c512-4ea7…
cd6cff618686
·sjplimp on Sep 23 2011, 15:57.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6998 f3b2605a-c512-4ea7…
1ab03c7ee003
·sjplimp on Sep 23 2011, 15:57.

May 30 2011

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6249 f3b2605a-c512-4ea7…
458150a9fe81
·sjplimp on May 30 2011, 16:35.

Mar 1 2008

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1559 f3b2605a-c512-4ea7…
670000000751
·sjplimp on Mar 1 2008, 01:06.

Sep 27 2007

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@905 f3b2605a-c512-4ea7…
36268e98147a
·sjplimp on Sep 27 2007, 22:51.

Sep 27 2006

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@27 f3b2605a-c512-4ea7…
60c7f745b9b7
·sjplimp on Sep 27 2006, 21:51.