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Diffusion lammps (lammm-master-deprecated) Graph

lammps/src/REAX
lammm-master-deprecated

History Graph

CommitAuthorDetailsCommitted
cb96e492e504Axel Kohlmeyer
make check for charge property consistent across the two reaxff implementations 
Aug 29 2014
4a197537c015Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 7 2014
2cca37351548sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12253 f3b2605a-c512-4ea7… 
Aug 6 2014
46e8e6c12078Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jan 18 2014
826fa24c4cd8sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11259 f3b2605a-c512-4ea7… 
Jan 17 2014
cb1ad361fbf0sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11256 f3b2605a-c512-4ea7… 
Jan 17 2014
f37ae6cb7476sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10161 f3b2605a-c512-4ea7… 
Jun 28 2013
2b1e3a30bd1aAxel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Jun 28 2013
0d55ad722b2fAxel Kohlmeyer
undo manybody check in anticipation of steve's modified version. 
Jun 27 2013
b92fa00337d0sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10104 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
c43fe0a6f69cAxel Kohlmeyer
idiot-proof defining bonds with manybody potentials 
Jun 17 2013
88d49ad3e9cbAxel Kohlmeyer
more meaningful error location for numerical parsing checks 
Jun 4 2013
ce2b853e4a11Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Jun 1 2013
a5da3aa1ce77sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9987 f3b2605a-c512-4ea7… 
May 31 2013
78788d6944d1sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9941 f3b2605a-c512-4ea7… 
May 30 2013
3db16649e93bAxel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Feb 20 2013
9a3f8a7a8984sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9532 f3b2605a-c512-4ea7… 
Feb 19 2013
6e511540f87fAxel Kohlmeyer
Merge branch 'master' into lammps-icms 
Jun 22 2012
4baf5cec9930sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8360 f3b2605a-c512-4ea7… 
Jun 20 2012
dc9431dcb221sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8343 f3b2605a-c512-4ea7… 
Jun 19 2012
7b55b61abb74sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8342 f3b2605a-c512-4ea7… 
Jun 19 2012
48aa45f7f072Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
Jun 7 2012
ef9e70054573sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8226 f3b2605a-c512-4ea7… 
Jun 7 2012
4990f2e53ddfsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8208 f3b2605a-c512-4ea7… 
Jun 1 2012
2bd9c4379ce3Axel Kohlmeyer
first batch of power function fixes 
Jun 1 2012
3c18792b9565Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
May 16 2012
8af67f39d07dathomps
Added ev_unset() function 
May 15 2012
3c8cacdebec9Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
May 9 2012
b1284262b88fathomps
Fixed problem with cutof3 
May 8 2012
90ce52e383b3Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
Feb 29 2012
2e686fb6cadasjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7859 f3b2605a-c512-4ea7… 
Feb 28 2012
6214cf294416Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
Feb 2 2012
f884a7ec8574sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7647 f3b2605a-c512-4ea7… 
Feb 1 2012
0b2c652aa97dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7641 f3b2605a-c512-4ea7… 
Feb 1 2012
783142ff2e17Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
Jan 31 2012
5ffc4b9bc138sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7614 f3b2605a-c512-4ea7… 
Jan 31 2012
4df037aa3b0bAxel Kohlmeyer
use a namespace with static const to propagate fix flags safely. 
Jan 31 2012
0f4a27ad8babAxel Kohlmeyer
add c++ emacs cookies into all SCM managed headers 
Dec 24 2011
891740f4a2e0sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7374 f3b2605a-c512-4ea7… 
Dec 16 2011
f4aa73f5d532sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7188 f3b2605a-c512-4ea7… 
Oct 25 2011
b5d15e114ab3sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7187 f3b2605a-c512-4ea7… 
Oct 25 2011
424fd114d75fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7185 f3b2605a-c512-4ea7… 
Oct 25 2011
19e8c92a906esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7003 f3b2605a-c512-4ea7… 
Sep 23 2011
ade25477f56csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6732 f3b2605a-c512-4ea7… 
Aug 18 2011
0cfaaee5d584sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6724 f3b2605a-c512-4ea7… 
Aug 18 2011
aedbb28b6c34sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6486 f3b2605a-c512-4ea7… 
Jun 30 2011
84711f49b362sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6376 f3b2605a-c512-4ea7… 
Jun 14 2011
147842df01absjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6327 f3b2605a-c512-4ea7… 
Jun 7 2011
bf1d550bfdc5sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6265 f3b2605a-c512-4ea7… 
Jun 1 2011
c6e661ddba3esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6204 f3b2605a-c512-4ea7… 
May 21 2011
e4a549ee7bdasjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6148 f3b2605a-c512-4ea7… 
May 20 2011
eb7d28836001sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5896 f3b2605a-c512-4ea7… 
Apr 5 2011
1f2a7add7806sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5836 f3b2605a-c512-4ea7… 
Mar 26 2011
fbb475b9cd1asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5835 f3b2605a-c512-4ea7… 
Mar 25 2011
b4fc6e0421besjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5796 f3b2605a-c512-4ea7… 
Mar 17 2011
09c391fb2dbesjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5793 f3b2605a-c512-4ea7… 
Mar 16 2011
10e24b27e1a9athomps
Fixed problem with eflag_global 
Feb 28 2011
d51c47d9ab02sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5705 f3b2605a-c512-4ea7… 
Feb 22 2011
fe769f6ca9a4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5643 f3b2605a-c512-4ea7… 
Feb 15 2011
d5b494397e8esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5547 f3b2605a-c512-4ea7… 
Jan 14 2011
9cd3b0f28dc1sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5535 f3b2605a-c512-4ea7… 
Jan 12 2011
0e342bae4288sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5534 f3b2605a-c512-4ea7… 
Jan 11 2011
82ec94916df7sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5520 f3b2605a-c512-4ea7… 
Jan 11 2011
f63c616ed121sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5507 f3b2605a-c512-4ea7… 
Jan 7 2011
f8296775819cathomps
Added linkage specifier 
Jan 7 2011
80468a281f78athomps
Added potential gradient columns 
Nov 6 2010
91746a0ad70cathomps
Modified pair_styles reax and reax/c 
Oct 26 2010
20068abc996eathomps
Removing itemized energy, added pvector support 
Oct 19 2010
a70605cc75d3athomps
Removed output_itemized_energy(), added compute pair support 
Oct 19 2010
f4f63949b6b3sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4941 f3b2605a-c512-4ea7… 
Oct 1 2010
35e70759fc3bathomps
Fixed missing arg in srtbon1 declaration 
Sep 27 2010
28311bc69e14athomps
Added hbnewflag argument to pair_style reax 
Sep 25 2010
b00318e1cb2fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4693 f3b2605a-c512-4ea7… 
Sep 6 2010
12d006eb947bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4691 f3b2605a-c512-4ea7… 
Sep 6 2010
8431dcc356a5sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4609 f3b2605a-c512-4ea7… 
Aug 28 2010
95bbf0e1bec9athomps
Tweaked handling of eflag and vflag 
Aug 28 2010
de6867c8340bathomps
Added check on size of NNEIGHMAXDEF 
Jun 30 2010
6f7c86254b20athomps
Added check on size of NATDEF 
Jun 30 2010
7aba69e4ab18sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4160 f3b2605a-c512-4ea7… 
May 20 2010
8c49ec08dd2csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3778 f3b2605a-c512-4ea7… 
Feb 3 2010
5c725e3fdf61sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3756 f3b2605a-c512-4ea7… 
Jan 29 2010
dc3eaddeceeasjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3754 f3b2605a-c512-4ea7… 
Jan 29 2010
2c643b7dc5absjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3655 f3b2605a-c512-4ea7… 
Jan 12 2010
3f3f82d9098dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3381 f3b2605a-c512-4ea7… 
Nov 10 2009
2bcd46f4264csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3240 f3b2605a-c512-4ea7… 
Oct 29 2009
213562dfbd86sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3183 f3b2605a-c512-4ea7… 
Sep 28 2009
c32f1825465dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3168 f3b2605a-c512-4ea7… 
Sep 24 2009
e3b3057e6001sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3069 f3b2605a-c512-4ea7… 
Aug 13 2009
eb63ce237741sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3023 f3b2605a-c512-4ea7… 
Aug 8 2009
f3a2085966c4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3016 f3b2605a-c512-4ea7… 
Aug 7 2009
8aa28e667783sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3013 f3b2605a-c512-4ea7… 
Aug 7 2009
746690d40222sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2958 f3b2605a-c512-4ea7… 
Jul 2 2009
fc5ef00c65cbsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2914 f3b2605a-c512-4ea7… 
Jun 30 2009
9dd58eb8fc2dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2888 f3b2605a-c512-4ea7… 
Jun 22 2009
fd8902278499sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2886 f3b2605a-c512-4ea7… 
Jun 22 2009
a8072c435ae6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2885 f3b2605a-c512-4ea7… 
Jun 22 2009
97d9c3dcb007athomps
Added output for itemized ReaxFF energies 
Jun 12 2009
22729d0a347cathomps
improved portability of ReaxFF 
Jun 2 2009
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