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Diffusion lammps (master) Graph

lammps/src/USER-REAXC
master

History Graph

CommitAuthorDetailsCommitted
b927375ca421sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10967 f3b2605a-c512-4ea7… 
Nov 5 2013
09c8526430ddsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10875 f3b2605a-c512-4ea7… 
Oct 19 2013
8c16d9ee7bb5athomps
Prevented PRD use with changing box 
Oct 18 2013
35eb67c68ef8sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10842 f3b2605a-c512-4ea7… 
Oct 1 2013
72d59c438d29sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10841 f3b2605a-c512-4ea7… 
Oct 1 2013
49550263e2acsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10837 f3b2605a-c512-4ea7… 
Oct 1 2013
c612b724dfc3sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10492 f3b2605a-c512-4ea7… 
Jul 30 2013
f37ae6cb7476sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10161 f3b2605a-c512-4ea7… 
Jun 28 2013
b92fa00337d0sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10104 f3b2605a-c512-4ea7… 
Jun 27 2013
a39eddebf9e7sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9953 f3b2605a-c512-4ea7… 
May 30 2013
aaf9d08e7463sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9861 f3b2605a-c512-4ea7… 
May 10 2013
3d5d72866157sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9860 f3b2605a-c512-4ea7… 
May 10 2013
b595c6dc27bcsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9858 f3b2605a-c512-4ea7… 
May 10 2013
0ca04bc6b350sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9834 f3b2605a-c512-4ea7… 
May 8 2013
cc237b52a6d1athomps
Removed reax/c time-averaging. Replaced integers with chemical symbols in… 
Mar 4 2013
538bd16793edathomps
Fixed clashes between #define constants in header files 
Feb 26 2013
be4a5a8e54a8sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9523 f3b2605a-c512-4ea7… 
Feb 18 2013
d01f873370bbathomps
Added fix_species 
Feb 15 2013
bb615ddd8bdcsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9431 f3b2605a-c512-4ea7… 
Feb 9 2013
bf535a92a827sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9417 f3b2605a-c512-4ea7… 
Feb 8 2013
ce7dede594easjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9399 f3b2605a-c512-4ea7… 
Feb 8 2013
9c75205cb850athomps
Extended safezone and mincap to fix qeq_reax 
Dec 12 2012
4ec21d8ca850athomps
Added reax/c array allocation keywords 
Aug 1 2012
47552d40335esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8498 f3b2605a-c512-4ea7… 
Jul 25 2012
7398f3eca3d0athomps
Removed energy_updte_freq from nonbond calculation 
Jun 20 2012
69f5fbf42194sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8356 f3b2605a-c512-4ea7… 
Jun 20 2012
f3eb64fd0f7asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8355 f3b2605a-c512-4ea7… 
Jun 20 2012
0cd34fb8a2d9sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8354 f3b2605a-c512-4ea7… 
Jun 20 2012
bb37265a8551athomps
Updated defaults for bond and hbond cutoffs in reax/c 
Jun 15 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
da8dd3b79271athomps
Changed default for threebody bond order product cutoff 
May 22 2012
8af67f39d07dathomps
Added ev_unset() function 
May 15 2012
3eb62a4c5af1athomps
Added fix reax/c/bonds 
May 8 2012
76b4aec8e50cathomps
Fixed reax per-atom energy and virial at periodic boundary 
May 7 2012
55fbe648f1fbsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7964 f3b2605a-c512-4ea7… 
Mar 21 2012
b26635580a2fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7923 f3b2605a-c512-4ea7… 
Mar 7 2012
2e686fb6cadasjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7859 f3b2605a-c512-4ea7… 
Feb 28 2012
90e6bf8af02csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7674 f3b2605a-c512-4ea7… 
Feb 2 2012
f884a7ec8574sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7647 f3b2605a-c512-4ea7… 
Feb 1 2012
5ffc4b9bc138sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7614 f3b2605a-c512-4ea7… 
Jan 31 2012
96a4977bd0f6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7582 f3b2605a-c512-4ea7… 
Jan 26 2012
a9f695113b10sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7467 f3b2605a-c512-4ea7… 
Jan 9 2012
619f3e50e225sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7465 f3b2605a-c512-4ea7… 
Jan 9 2012
5e7a75160a7esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7458 f3b2605a-c512-4ea7… 
Jan 6 2012
2b742fac28d2sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7455 f3b2605a-c512-4ea7… 
Jan 6 2012
cf4145cfe583sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7454 f3b2605a-c512-4ea7… 
Jan 6 2012
a10a77764004sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7437 f3b2605a-c512-4ea7… 
Jan 6 2012
f9847d811110sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7191 f3b2605a-c512-4ea7… 
Oct 25 2011
a7d891fbf02csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7035 f3b2605a-c512-4ea7… 
Oct 6 2011
2e32772d1da9sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7031 f3b2605a-c512-4ea7… 
Oct 6 2011
19e8c92a906esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7003 f3b2605a-c512-4ea7… 
Sep 23 2011
aa896067951asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6964 f3b2605a-c512-4ea7… 
Sep 14 2011
ef7e03bb4589sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6963 f3b2605a-c512-4ea7… 
Sep 14 2011
9f02b4057ba7athomps
Added warning about box dimesnions 
Sep 13 2011
139d3174d51csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6830 f3b2605a-c512-4ea7… 
Aug 27 2011
786bcba08180sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6786 f3b2605a-c512-4ea7… 
Aug 25 2011
44190d7ba8eeathomps
Synced timestep for internal output 
Jul 21 2011
f62b317d376bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6452 f3b2605a-c512-4ea7… 
Jun 20 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
eb7d28836001sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5896 f3b2605a-c512-4ea7… 
Apr 5 2011
521dfd2ed6bfsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5844 f3b2605a-c512-4ea7… 
Mar 26 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
159d131e37cdsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5797 f3b2605a-c512-4ea7… 
Mar 18 2011
d0adfc8bf2b6athomps
Fixed problem with C2 correction 
Mar 9 2011
fc3dca692a68sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5720 f3b2605a-c512-4ea7… 
Feb 22 2011
123a2f6f5710athomps
Added the rest of Andres changes 
Feb 21 2011
3fcbc35dfa40athomps
Added the rest of Andres changes 
Feb 21 2011
eba3682f98feathomps
Added corrections to code 
Feb 19 2011
fe769f6ca9a4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5643 f3b2605a-c512-4ea7… 
Feb 15 2011
328acf20408bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5582 f3b2605a-c512-4ea7… 
Feb 2 2011
7a2ad8387643sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5442 f3b2605a-c512-4ea7… 
Jan 3 2011
29006811dcd9athomps
Fix problems with restarts and non-existent types 
Nov 18 2010
df8655f6d5c1athomps
Added check for qeq and option to turn off check 
Oct 27 2010
701a14195032athomps
Added fix qeq/reax check 
Oct 27 2010
91746a0ad70cathomps
Modified pair_styles reax and reax/c 
Oct 26 2010
ca774da8266eathomps
Modified pair_style reax/c 
Oct 26 2010
890d2a255ff4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5149 f3b2605a-c512-4ea7… 
Oct 26 2010
bfd6a79fe67fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5143 f3b2605a-c512-4ea7… 
Oct 26 2010
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