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Diffusion lammps (lammps-icms) Graph

lammps/src/MOLECULE
lammps-icms

History Graph

CommitAuthorDetailsCommitted
5d6cf32dfe32Axel Kohlmeyer
enable write_data support for umbrella improper style 
May 28 2016
d1dbbe86c496Axel Kohlmeyer
port test for inconsistent force from pair table to bond table 
Mar 28 2016
d436d96be3f2Axel Kohlmeyer
add check for incomplete data to bond_style table. guess r0, if not given 
Mar 25 2016
e58b10fa8121Axel Kohlmeyer
fix bug in lj/charmm/coul/charmm reported on lammps-users 
Mar 11 2016
1e9a4cc4b808Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Oct 31 2015
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
6884d7dd2d02Axel Kohlmeyer
fix typo 
Sep 29 2015
1ee0f5e15d08Axel Kohlmeyer
remove dead code 
Sep 29 2015
f7bc08d83d39sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13601 f3b2605a-c512-4ea7… 
Jul 15 2015
e642c5140ae1Axel Kohlmeyer
make bond_style table compatible with CR/LF files 
May 27 2015
f83f55aac1deAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Mar 28 2015
d72fcf5acca3sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13303 f3b2605a-c512-4ea7… 
Mar 27 2015
05eacff252dbAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Mar 19 2015
7056c8bf11f5sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13258 f3b2605a-c512-4ea7… 
Mar 19 2015
8d532d93e929Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jan 20 2015
4a975dd8cf07sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12957 f3b2605a-c512-4ea7… 
Jan 20 2015
416f6c25e56dAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Nov 18 2014
f14e5cdce67bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12714 f3b2605a-c512-4ea7… 
Nov 18 2014
7518fae9bcffsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7… 
Oct 21 2014
35d8036e3236Axel Kohlmeyer
update C++ headers with emacs mode cookies 
Oct 21 2014
063fae8961fbAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jun 11 2014
abf916584832sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12116 f3b2605a-c512-4ea7… 
Jun 11 2014
5e1cc8e250cfsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12115 f3b2605a-c512-4ea7… 
Jun 11 2014
32d641d3f970sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12000 f3b2605a-c512-4ea7… 
May 16 2014
4acacd8e3b18Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
May 8 2014
4c9bba90f109sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11937 f3b2605a-c512-4ea7… 
May 7 2014
fc62bdc5cb96Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
May 7 2014
f351d8316ad1sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11927 f3b2605a-c512-4ea7… 
May 7 2014
c198ad904c26Axel Kohlmeyer
add Pair::extract() targets to several pair styles for FEP calculations 
Apr 24 2014
f461504c9398sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11829 f3b2605a-c512-4ea7… 
Apr 18 2014
ee04f975b3daAxel Kohlmeyer
some more dead code removal. number of warnings getting small now 
Apr 18 2014
1fac1d41fa78sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11789 f3b2605a-c512-4ea7… 
Apr 15 2014
323e3075c413Axel Kohlmeyer
remove even more unused variables and have consistent initialization 
Apr 12 2014
0de9e4252ba7sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11701 f3b2605a-c512-4ea7… 
Apr 4 2014
61af28265478Axel Kohlmeyer
move open_potential() from pair.cpp to force.cpp and extend to bonds/angles 
Feb 14 2014
625b3d3bdeefAxel Kohlmeyer
Merge branch 'merge-stable' into lammps-icms 
Jan 30 2014
5136d597135fAxel Kohlmeyer
anticipate 1 Feb 2014 patch from upstream 
Jan 30 2014
1ba04dabf6c9sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11393 f3b2605a-c512-4ea7… 
Jan 30 2014
cd9ad0b7d21dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11391 f3b2605a-c512-4ea7… 
Jan 30 2014
e8605375c218sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11390 f3b2605a-c512-4ea7… 
Jan 30 2014
3f3e99693936sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11389 f3b2605a-c512-4ea7… 
Jan 30 2014
677b11428e37sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11387 f3b2605a-c512-4ea7… 
Jan 30 2014
d181769e8881Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jan 30 2014
9fe494cc6a62sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11380 f3b2605a-c512-4ea7… 
Jan 29 2014
fffe7f95b761sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11379 f3b2605a-c512-4ea7… 
Jan 29 2014
8a0787104756Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jan 29 2014
7f81b2f2ff7fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11371 f3b2605a-c512-4ea7… 
Jan 29 2014
763aa3ed68b2sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11350 f3b2605a-c512-4ea7… 
Jan 28 2014
f217a59546fdAxel Kohlmeyer
bugfix for typo bugfix from upstream 
Jan 28 2014
0750213978f2Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jan 28 2014
9b1cc599f6f0sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11341 f3b2605a-c512-4ea7… 
Jan 27 2014
30a5d89bcd70Axel Kohlmeyer
fix typo 
Jan 27 2014
39b159777882Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jan 27 2014
806a382bd096sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11339 f3b2605a-c512-4ea7… 
Jan 26 2014
0ce16af78b12sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11328 f3b2605a-c512-4ea7… 
Jan 25 2014
4cb3d5130b0aAxel Kohlmeyer
correct issues with LAMMPS_BIGBIG compilation due to recent changes 
Jan 23 2014
979c5746a06cAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jan 23 2014
127eb167c116sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11293 f3b2605a-c512-4ea7… 
Jan 22 2014
46e8e6c12078Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jan 18 2014
bad19033d015sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11250 f3b2605a-c512-4ea7… 
Jan 17 2014
a6ca3cab542cAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jan 17 2014
a1ef01fc1ae2sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11243 f3b2605a-c512-4ea7… 
Jan 14 2014
b6ad73ab1dacAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jan 11 2014
002463c6c403sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11228 f3b2605a-c512-4ea7… 
Jan 11 2014
1f844fd910e9sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11054 f3b2605a-c512-4ea7… 
Nov 25 2013
f3b8891e785dAxel Kohlmeyer
bufix for incorrectly written data file 
Nov 23 2013
fb7ecfd4a8ccAxel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Nov 23 2013
8ff753d958a1sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11044 f3b2605a-c512-4ea7… 
Nov 22 2013
b67ae4c6fb9dAxel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Nov 21 2013
ec6c60273019sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11027 f3b2605a-c512-4ea7… 
Nov 20 2013
5ec8a7c9304fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11026 f3b2605a-c512-4ea7… 
Nov 20 2013
719e322a7acdAxel Kohlmeyer
fix for bug reported by andrew jewett 
Oct 15 2013
3b06646a184aAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 21 2013
905724e5fa7bathomps
Fixed error in switching function force 
Aug 13 2013
76878bf97f93sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10525 f3b2605a-c512-4ea7… 
Aug 2 2013
e313e8a32abbAxel Kohlmeyer
add write data support for opls dihedrals 
Aug 2 2013
6238b9014405sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10400 f3b2605a-c512-4ea7… 
Jul 26 2013
60e58c44cf1fAxel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Jul 26 2013
856f78e50a84sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10349 f3b2605a-c512-4ea7… 
Jul 25 2013
42408bc41dbdsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10290 f3b2605a-c512-4ea7… 
Jul 23 2013
2584cbe902e1sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10289 f3b2605a-c512-4ea7… 
Jul 23 2013
c102c621e339sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10277 f3b2605a-c512-4ea7… 
Jul 23 2013
aa85ae42669aAxel Kohlmeyer
added tip4p/cut style 
Jul 23 2013
7ba4c87055fcAxel Kohlmeyer
correct error messages 
Jul 23 2013
d255952ed9f3Axel Kohlmeyer
correct error messages and docs. add /omp version for tip4p/long 
Jul 22 2013
07ea228eda66Axel Kohlmeyer
add write_data support to some more styles 
Jul 22 2013
9b5799bd93d3Axel Kohlmeyer
we need to store weightflag in the restart 
Jul 20 2013
9c9f752b3bb7Axel Kohlmeyer
silence some warnings, remove dead code 
Jul 13 2013
4ed8b7d42fd8Axel Kohlmeyer
add write_data support to cvff impropers 
Jul 12 2013
6553258ee993Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Jun 30 2013
ce91adefc17bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10197 f3b2605a-c512-4ea7… 
Jun 29 2013
c7183e199aadAxel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Jun 29 2013
f37ae6cb7476sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10161 f3b2605a-c512-4ea7… 
Jun 28 2013
fcc992d386f6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10159 f3b2605a-c512-4ea7… 
Jun 28 2013
2b1e3a30bd1aAxel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Jun 28 2013
8d699db7a887sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10113 f3b2605a-c512-4ea7… 
Jun 27 2013
34b028f059a5sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10107 f3b2605a-c512-4ea7… 
Jun 27 2013
2dbe3f80a2e8sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10103 f3b2605a-c512-4ea7… 
Jun 27 2013
0e045500433fAxel Kohlmeyer
massive patch to flag non-numeric input 
Jun 23 2013
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