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Diffusion lammps (runner) Graph

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History Graph

CommitAuthorDetailsCommitted
9c0fc4ba8d02sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10909 f3b2605a-c512-4ea7… 
Oct 30 2013
15b7374ff0a2sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10906 f3b2605a-c512-4ea7… 
Oct 30 2013
6f90642fb89fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10900 f3b2605a-c512-4ea7… 
Oct 30 2013
029edc7a0129sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10896 f3b2605a-c512-4ea7… 
Oct 30 2013
64614a165723sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10893 f3b2605a-c512-4ea7… 
Oct 30 2013
166d6df67e91sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10890 f3b2605a-c512-4ea7… 
Oct 30 2013
46d431811d9esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10889 f3b2605a-c512-4ea7… 
Oct 30 2013
bb3809f5903asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10888 f3b2605a-c512-4ea7… 
Oct 30 2013
85d15b93bc21sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10885 f3b2605a-c512-4ea7… 
Oct 30 2013
98b493e5bd77Axel Kohlmeyer
simplify isdef() variable function semantics and add documentation 
Oct 29 2013
129cbde709aesjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10883 f3b2605a-c512-4ea7… 
Oct 29 2013
6af7493afda0Axel Kohlmeyer
add docs for compiling with PNG 
Oct 26 2013
1ccff1415414Axel Kohlmeyer
update documentation for colvars package 
Oct 25 2013
14b42509897bAxel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Oct 25 2013
b0d7fe1f2689sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10876 f3b2605a-c512-4ea7… 
Oct 24 2013
b544776e5794Axel Kohlmeyer
update colvars with .xyz support by jerome 
Oct 24 2013
342f117b419aAxel Kohlmeyer
add minimal documentation for QM/MM 
Oct 19 2013
95d5c3ae81e7Axel Kohlmeyer
fix typo in restrain fix docs 
Oct 16 2013
2a6c8d7501c7Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into qmmm-qe 
Oct 11 2013
506f47b0a5easjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10863 f3b2605a-c512-4ea7… 
Oct 10 2013
f1401642df49sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10862 f3b2605a-c512-4ea7… 
Oct 10 2013
2822a0d38d3asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10861 f3b2605a-c512-4ea7… 
Oct 10 2013
da36fc684e85sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10860 f3b2605a-c512-4ea7… 
Oct 10 2013
986396c29af5Axel Kohlmeyer
the orient command doesn't exist anymore as well 
Oct 10 2013
1b260816c0fdAxel Kohlmeyer
manual generation housekeeping 
Oct 10 2013
ba20fbba6cdaAxel Kohlmeyer
fix cut-n-paste typos 
Oct 9 2013
3c7da9308eefAxel Kohlmeyer
added code to use collective MPI operations for data remap in 3d-FFT 
Oct 9 2013
8b9d983baa37Axel Kohlmeyer
new variable style "getenv" to access environment variables 
Oct 7 2013
0cff15d30c6fAxel Kohlmeyer
Adding intel tuning options for OpenCL builds. Changing 'GPU' to 'Device' in… 
Oct 6 2013
bf57e56c9e4cAxel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Oct 6 2013
ea913a741eb8Axel Kohlmeyer
setting environment variables differently for easy porting to mingw 
Oct 6 2013
f4cfe7b89326jzimmer
Taking out faulty "man_charge_control" line 
Oct 6 2013
f8425be4e7f6jzimmer
Updating fix_atc files for current version of user-atc 
Oct 6 2013
ac35c46950a9Axel Kohlmeyer
add coul/dsf/omp pair styles 
Oct 5 2013
0cc56656db65Axel Kohlmeyer
added tersoff/omp style 
Oct 5 2013
087056c03fd1Axel Kohlmeyer
add a shell setenv command 
Oct 5 2013
515744cff24cAxel Kohlmeyer
link recently added styles to list of pair styles 
Oct 5 2013
2fed2809291bAxel Kohlmeyer
add zbl/omp pair style 
Oct 5 2013
b24a93d360aeAxel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Oct 4 2013
71928fcd9692athomps
Added kmax/ewald keyword 
Oct 4 2013
1c9f8bcc97b8athomps
Added kmax/ewald keyword 
Oct 4 2013
3df9e9aa8626athomps
Added kmax/ewald keyword 
Oct 4 2013
cb16262ab021athomps
Added kmax/ewald keyword 
Oct 4 2013
19496d9756fcathomps
Added kmax/ewald keyword 
Oct 4 2013
a1ec046d37f6Axel Kohlmeyer
finish docs for nm/cut styles 
Oct 3 2013
fee8a8b3a68eAxel Kohlmeyer
add more nm/cut pair styles for USER-OMP (still incomplete) 
Oct 3 2013
8edeead355d9Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Oct 3 2013
b62a5ab98217athomps
Correct sin arguments in fc(r) 
Oct 2 2013
b1de38182807sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10849 f3b2605a-c512-4ea7… 
Oct 2 2013
c3d52cd64de4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10847 f3b2605a-c512-4ea7… 
Oct 2 2013
ada81ca2e055sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10846 f3b2605a-c512-4ea7… 
Oct 2 2013
f3b6503ffa93Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
Oct 2 2013
51191ebdc04esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10844 f3b2605a-c512-4ea7… 
Oct 1 2013
0a0a430c937esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10839 f3b2605a-c512-4ea7… 
Oct 1 2013
4609d2c71688Axel Kohlmeyer
added append flag to log command 
Sep 25 2013
0fad40b8188eAxel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Sep 24 2013
4601c9a9f401sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10834 f3b2605a-c512-4ea7… 
Sep 24 2013
6372e27dfe1dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10830 f3b2605a-c512-4ea7… 
Sep 23 2013
335469868f06sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10827 f3b2605a-c512-4ea7… 
Sep 23 2013
68c0de719973Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Sep 19 2013
e7972a647224sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10814 f3b2605a-c512-4ea7… 
Sep 18 2013
710cc581da87sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10812 f3b2605a-c512-4ea7… 
Sep 18 2013
7a583cef4936sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10809 f3b2605a-c512-4ea7… 
Sep 18 2013
a471105ce495Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Sep 18 2013
32b1393bed0csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10802 f3b2605a-c512-4ea7… 
Sep 17 2013
8b67eba1359bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10800 f3b2605a-c512-4ea7… 
Sep 17 2013
c0740054e2fbsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10799 f3b2605a-c512-4ea7… 
Sep 17 2013
c659473d2558athomps
Added equation for ZBL 
Sep 17 2013
82dd59c831a5athomps
Added equation for ZBL 
Sep 17 2013
7b77eff37eb3athomps
Added equation for ZBL 
Sep 17 2013
bc74253621bdsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10793 f3b2605a-c512-4ea7… 
Sep 17 2013
0f7740818c8cAxel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Sep 17 2013
c0515259f2e3athomps
Added pair style ZBL 
Sep 17 2013
00d9f400ba98Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Sep 13 2013
97ced25de0d6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10779 f3b2605a-c512-4ea7… 
Sep 13 2013
4fe160c56ec2sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10775 f3b2605a-c512-4ea7… 
Sep 13 2013
880ba18d3870sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10774 f3b2605a-c512-4ea7… 
Sep 12 2013
5a05c177f8d4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10773 f3b2605a-c512-4ea7… 
Sep 12 2013
df07d554c44ejzimmer
Deleting faulty "stdout" files 
Sep 12 2013
b4be93d626casjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10767 f3b2605a-c512-4ea7… 
Sep 12 2013
aceba1bd01f2sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10762 f3b2605a-c512-4ea7… 
Sep 12 2013
8affd9162df9Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Sep 11 2013
0b3c75bf6d41sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10757 f3b2605a-c512-4ea7… 
Sep 11 2013
08de04c192d5sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10753 f3b2605a-c512-4ea7… 
Sep 11 2013
69b65ebdef67Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Sep 10 2013
1c04c9e1022fAxel Kohlmeyer
add docs for fix_countdown. 
Sep 9 2013
59bf51be4c62sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10739 f3b2605a-c512-4ea7… 
Sep 9 2013
2166b15182absjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10737 f3b2605a-c512-4ea7… 
Sep 9 2013
b6b09747fcd4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10733 f3b2605a-c512-4ea7… 
Sep 9 2013
1b309253113bAxel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Sep 6 2013
bd0aa92c7900sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10730 f3b2605a-c512-4ea7… 
Sep 6 2013
8f986a885b8esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10729 f3b2605a-c512-4ea7… 
Sep 6 2013
2ba239f94dcbsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10728 f3b2605a-c512-4ea7… 
Sep 6 2013
17a2ffe7de6fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10725 f3b2605a-c512-4ea7… 
Sep 6 2013
2366287df6e7sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10723 f3b2605a-c512-4ea7… 
Sep 6 2013
b46ddebe3eefAxel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Sep 5 2013
b3b26852c4e3sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10717 f3b2605a-c512-4ea7… 
Sep 4 2013
3d33a8d56bb8sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10715 f3b2605a-c512-4ea7… 
Sep 4 2013
06de308627a0sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10712 f3b2605a-c512-4ea7… 
Sep 4 2013
d018e873d510rjones
ATC version 2.0, date: Sep1 
Sep 1 2013
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