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Diffusion lammps (lammm-master-deprecated) Graph

lammps/src/MOLECULE
lammm-master-deprecated

History Graph

CommitAuthorDetailsCommitted
9ff362c8d388Axel Kohlmeyer
better bugfix for charmm dihedral check with hybrid dihedrals 
Jun 20 2013
2a9c0113ba71Axel Kohlmeyer
bugfix for charmm weight factor check 
Jun 20 2013
4bc2ed40d389Axel Kohlmeyer
bugfix from mailing list 
Jun 10 2013
ad9e26e107deAxel Kohlmeyer
make sure communication buffers for atom data are fully initialized. 
Jun 5 2013
f68c9e83860aAxel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Jun 5 2013
d693bd7413f8sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10015 f3b2605a-c512-4ea7… 
Jun 4 2013
0a02b87a36e6Axel Kohlmeyer
Merge branch 'dreiding-fix' into lammps-icms 
Jun 4 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
124bfc5ba765sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9939 f3b2605a-c512-4ea7… 
May 30 2013
18dc947db0baAxel Kohlmeyer
import hbond/dreiding energy conservation bugfixes. 
May 22 2013
c1b6654dbc9cAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
May 10 2013
f4714d9c4122sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9836 f3b2605a-c512-4ea7… 
May 8 2013
cf986ce9c6daAxel Kohlmeyer
more accuracy for coordinate output in write data 
Apr 25 2013
b210bf46cf94Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Apr 9 2013
601ca515e6acsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9765 f3b2605a-c512-4ea7… 
Apr 9 2013
6956b2e77aa0Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Apr 5 2013
81a2ac57dc41Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Apr 4 2013
0be82bdfa00asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9752 f3b2605a-c512-4ea7… 
Apr 4 2013
2206f011e938sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9738 f3b2605a-c512-4ea7… 
Apr 3 2013
8e5febbc810fAxel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Apr 2 2013
1760cf463311sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9723 f3b2605a-c512-4ea7… 
Apr 1 2013
45ea5f9795besjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9722 f3b2605a-c512-4ea7… 
Apr 1 2013
a3603ca40fcaAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Mar 16 2013
ba0c0a959c8esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9662 f3b2605a-c512-4ea7… 
Mar 13 2013
0cd14bfb847asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9658 f3b2605a-c512-4ea7… 
Mar 13 2013
21e4a32e6528Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Mar 8 2013
52f09a7bd1fesjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9611 f3b2605a-c512-4ea7… 
Mar 7 2013
115df8a11649Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Mar 5 2013
a5c6bfb1c587sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9566 f3b2605a-c512-4ea7… 
Mar 5 2013
180144344415Axel Kohlmeyer
bugfix for hybrid atom style bug 
Mar 1 2013
558c801d9298Axel Kohlmeyer
allocate storage for one more atom, so we can have a dummy atom in neighbor… 
Feb 18 2013
7b25847ee571Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Feb 16 2013
79410e394fa7sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9509 f3b2605a-c512-4ea7… 
Feb 15 2013
1d68769ded88Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
Feb 9 2013
3adb315c9e77sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9410 f3b2605a-c512-4ea7… 
Feb 8 2013
ebe08bf4ca16sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9405 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
b01907cd9549Axel Kohlmeyer
more uses of special math functions 
Feb 5 2013
49690af8566dAxel Kohlmeyer
use special math functions 
Feb 4 2013
bdd81705ccd2Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
Feb 1 2013
0c6b84987cf3sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9346 f3b2605a-c512-4ea7… 
Jan 31 2013
427161ef56aaAxel Kohlmeyer
Merge branch 'master' into lammps-icms 
Jan 9 2013
c3ed94c40c1asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9193 f3b2605a-c512-4ea7… 
Jan 2 2013
5fce6203bdf1Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
Sep 19 2012
6367c8b60172sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8794 f3b2605a-c512-4ea7… 
Sep 19 2012
2aef58a801d4Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
Sep 12 2012
911abe60d7e4Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
Sep 12 2012
c4da5b2e36c5sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8765 f3b2605a-c512-4ea7… 
Sep 11 2012
4cb1e63890a4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8759 f3b2605a-c512-4ea7… 
Sep 10 2012
f73d1bffe299Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
Jul 26 2012
47552d40335esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8498 f3b2605a-c512-4ea7… 
Jul 25 2012
2a099bfedb48Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
Jun 30 2012
dfb51e6b00d4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8398 f3b2605a-c512-4ea7… 
Jun 26 2012
66c5617afbe6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8395 f3b2605a-c512-4ea7… 
Jun 26 2012
e8ff810ee770sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8391 f3b2605a-c512-4ea7… 
Jun 25 2012
4441f9b5aafdAxel Kohlmeyer
Merge branch 'master' into lammps-icms 
Jun 20 2012
a559ad0c45e5sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8325 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
978a99e0981fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8206 f3b2605a-c512-4ea7… 
Jun 1 2012
2bd9c4379ce3Axel Kohlmeyer
first batch of power function fixes 
Jun 1 2012
dfae7ce41b15Axel Kohlmeyer
for multiplicity 0 ddf1 may be used unitialized => crash. 
Jun 1 2012
0c24ab0b5300Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
May 31 2012
5d8ad6391485sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8196 f3b2605a-c512-4ea7… 
May 30 2012
59fa5d6cd17fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8194 f3b2605a-c512-4ea7… 
May 30 2012
b488ec1c8af7Axel Kohlmeyer
fix typo and copy-n-modify errors 
May 29 2012
d988dd011e97Axel Kohlmeyer
incorporate dihedral bugfix by andrew jewett 
May 9 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
3450c008aa00sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7850 f3b2605a-c512-4ea7… 
Feb 28 2012
9bdacec22fa6Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
Feb 14 2012
1217612ab63asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7761 f3b2605a-c512-4ea7… 
Feb 13 2012
2d5d56948630Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
Jan 11 2012
ef06e2b12d7bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7531 f3b2605a-c512-4ea7… 
Jan 10 2012
b5c1d4b6bb19Axel Kohlmeyer
remove more spurious leftovers from merge 
Jan 1 2012
221499203559Axel Kohlmeyer
Merge branch 'openmp-master' into lammps-icms 
Jan 1 2012
006d63d78a92Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
Jan 1 2012
9259ae869929Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
Jan 1 2012
0f4a27ad8babAxel Kohlmeyer
add c++ emacs cookies into all SCM managed headers 
Dec 24 2011
4f48544d4198sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7379 f3b2605a-c512-4ea7… 
Dec 16 2011
d99b580613d6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7375 f3b2605a-c512-4ea7… 
Dec 16 2011
891740f4a2e0sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7374 f3b2605a-c512-4ea7… 
Dec 16 2011
ea56c1ec97a0sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7362 f3b2605a-c512-4ea7… 
Dec 14 2011
ba728e5e07e1sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7262 f3b2605a-c512-4ea7… 
Dec 1 2011
618f3ab3ffdfsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7221 f3b2605a-c512-4ea7… 
Oct 31 2011
895680bd32e0sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7192 f3b2605a-c512-4ea7… 
Oct 25 2011
c6bbdcfbf2afsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7184 f3b2605a-c512-4ea7… 
Oct 24 2011
f90ce18f3db4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7133 f3b2605a-c512-4ea7… 
Oct 20 2011
6d849fea0e36sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7061 f3b2605a-c512-4ea7… 
Oct 10 2011
15203cb79244sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7039 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
b19a38a92d19sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6794 f3b2605a-c512-4ea7… 
Aug 25 2011
029a4d2df257sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6780 f3b2605a-c512-4ea7… 
Aug 24 2011
a2b1d577d096sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6745 f3b2605a-c512-4ea7… 
Aug 19 2011
775f182d1f19sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6709 f3b2605a-c512-4ea7… 
Aug 17 2011
aedbb28b6c34sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6486 f3b2605a-c512-4ea7… 
Jun 30 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
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