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Diffusion lammps (lammm-master-deprecated) Graph

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lammm-master-deprecated

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CommitAuthorDetailsCommitted
de2c71bff4e8Axel Kohlmeyer
Merge branch 'lammps-awesome' into lammps-icms 
Jun 3 2010
7eddf8caca46Peter Shannon
Merge branch 'lammps-icms' of github.com:Skiphex/lammps-awesome into lammps-icms 
Jun 3 2010
1f4d7e20cf6bPeter Shannon
files deleted to restucture test directory 
Jun 3 2010
06c9c6aa5a07Peter Shannon
minor fixes made to dihedral_harmonic_omp.cpp 
Jun 3 2010
93d93ab985b9Peter Shannon
updated Install.sh in USER-OPENMP 
Jun 3 2010
d63181690cdaPeter Shannon
restructured tests directory 
Jun 3 2010
1bc519ac1323Ryan Houlihan
Dihedral multi harmonic with OMP implemented 
Jun 3 2010
a61bcd84c9b0Ryan Houlihan
Dihedral OPLS with OMP implemented 
Jun 3 2010
5deacd952ff5Ryan Houlihan
Changed nnfrom and nnto to nfrom nto 
Jun 3 2010
e25481652952Axel Kohlmeyer
update list of optional files to be ignored. 
Jun 3 2010
925783183597Axel Kohlmeyer
added OpenMP vers of dihedral styles to Install.sh 
Jun 3 2010
f8359a7c0c70Ryan Houlihan
Merge branch 'lammps-icms' into lammps-ryan 
Jun 3 2010
2bd2bf1d43e1Ryan Houlihan
Dihedral Helix with OMP implemented 
Jun 3 2010
b5ac09f2d037Peter Shannon
Merge branch 'lammps-axel' into lammps-icms 
Jun 3 2010
0ddcd03c13d5Ryan Houlihan
Merge branch 'lammps-icms' into lammps-ryan 
Jun 3 2010
3cbc2be77568Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
Jun 3 2010
077e25627011Axel Kohlmeyer
add input example for dpd/tstat/omp 
Jun 3 2010
833df4bfec07Axel Kohlmeyer
Merge branch 'lammps-awesome' into lammps-icms 
Jun 3 2010
0c89650a4e50Axel Kohlmeyer
new and much smaller tests for dpd and soft. 
Jun 3 2010
7a98d901d064Ryan Houlihan
Dihedral Harmonic with OMP 
Jun 2 2010
e9f4a2453a25sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4225 f3b2605a-c512-4ea7… 
Jun 2 2010
4e677d0faac4Peter Shannon
Merge branch 'lammps-axel' into lammps-icms 
Jun 2 2010
23c72defb7abPeter Shannon
updated .gitignore in src 
Jun 2 2010
932b33e87cc9Peter Shannon
added in.melt-lj-gromacs-coul-gromacs and in.melt-lj-gromacs-coul-gromacs-omp 
Jun 2 2010
0b2d6f260df2Peter Shannon
added in.melt-lj-gromacs and in.melt-lj-gromacs-omp 
Jun 2 2010
00c9f967a7a9Peter Shannon
added in.melt-lj-expand and in.melt-lj-expand-omp 
Jun 2 2010
31759d7b20fePeter Shannon
added in.melt-dpd-tstat and in.melt-dpd-tstat-omp 
Jun 2 2010
8c1eb9ce08acPeter Shannon
added in.melt-dpd and in.melt-dpd-omp 
Jun 2 2010
f183b25fe7dcPeter Shannon
added in.melt-cg-cmm and in.melt-cg-cmm-omp 
Jun 2 2010
a64c2fa1e3b6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4224 f3b2605a-c512-4ea7… 
Jun 2 2010
9a4a2f283b4asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4223 f3b2605a-c512-4ea7… 
Jun 2 2010
eb2ec2a51797Peter Shannon
added in.melt-lj96-cut and in.melt-lj96-cut-omp 
Jun 2 2010
a6c38349e380Peter Shannon
added in.melt-lj-cut-coul-long and in.melt-lj-cut-coul-long-omp 
Jun 2 2010
611de16963a3Peter Shannon
added in.melt-lj-cut-coul-debye and in.melt-lj-cut-coul-debye-omp 
Jun 2 2010
c00a83f678dcPeter Shannon
added in.melt-lj-cut-coul-cut and in.melt-lj-cut-coul-cut-omp 
Jun 2 2010
57feea5010afPeter Shannon
added in.melt-lj-charmm-coul-long and in.melt-lj-charmm-coul-long-omp 
Jun 2 2010
d9bbef24dd70Peter Shannon
added in.melt-lj-charmm-coul-charmm-implicit and in.melt-lj-charmm-coul-charmm… 
Jun 2 2010
d6b1a9d13323Peter Shannon
added in.melt-lj-charmm-coul-charmm and in.melt-lj-charmm-coul-charmm-omp 
Jun 2 2010
a1fe8eda547dPeter Shannon
added in.melt-born-coul-long and in.melt-born-coul-long-omp 
Jun 2 2010
d93ffdcf4cf5Peter Shannon
fix minor error in pair_lj_cut_coul_long_omp.cpp 
Jun 2 2010
acb302189dabRyan Houlihan
Dihedral parent class with OMP implimentation 
Jun 2 2010
8d36344d0ae3Axel Kohlmeyer
input example for OpenMP ewald. 
Jun 2 2010
a9f2eb3ebcfaAxel Kohlmeyer
reverse the order of indices in cs,sn arrays 
Jun 2 2010
ebbf7a49445fAxel Kohlmeyer
ignore copy of new ewald variant. 
Jun 2 2010
092552914b11Axel Kohlmeyer
nlocal is not used with charge lists. 
Jun 2 2010
4941a30d33deAxel Kohlmeyer
add openmp directive to force loop. 
Jun 2 2010
0b62f0bf8572Axel Kohlmeyer
add omp version for ewald (not yet threaded). 
Jun 2 2010
5eb3f0afe071sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4222 f3b2605a-c512-4ea7… 
Jun 2 2010
c563a9eacaf3sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4221 f3b2605a-c512-4ea7… 
Jun 2 2010
b3132ab2592esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4220 f3b2605a-c512-4ea7… 
Jun 2 2010
d3f3d5a16d1dPeter Shannon
Merge branch 'lammps-axel' into lammps-icms 
Jun 2 2010
d846e7a1b522Peter Shannon
Merge branch 'lammps-icms' of github.com:Skiphex/lammps-awesome into lammps-icms 
Jun 2 2010
69f5a00743dePeter Shannon
added in.melt-buck-coul-long and in.melt-buck-coul-long-omp 
Jun 2 2010
8445db618207Peter Shannon
fix minor error in pair_buck_coul_long_omp.cpp 
Jun 2 2010
200387edc9c6Peter Shannon
fix minor error in pair_born_coul_long_omp.cpp 
Jun 2 2010
1329c12adad7Axel Kohlmeyer
use force->numeric() instead of atof(). 
Jun 2 2010
0cdb88803143Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
Jun 2 2010
d3342ae667b9Axel Kohlmeyer
add some explanations about what speed to expect 
Jun 2 2010
b844ff3a7beeAxel Kohlmeyer
add "real world" example system for soft and dpd 
Jun 2 2010
563bb15ac27cAxel Kohlmeyer
added dpd/tstat/omp and adjusted dpd/omp to it. 
Jun 2 2010
569ff28311c5Axel Kohlmeyer
add multi-threaded DPD pair style. 
Jun 2 2010
499e154aab28Axel Kohlmeyer
another small optimization for soft/omp. 
Jun 2 2010
e7035daa44ebAxel Kohlmeyer
fix massive bug in soft/omp pair_style 
Jun 2 2010
31fbc688cad8Peter Shannon
Re-add virtual to destructor in pair_buck_coul_cut_omp.h 
Jun 1 2010
9a58c4593598Peter Shannon
Added in.melt-buck-coul-cut and in.melt-buck-coul-cut-omp 
Jun 1 2010
ce23b5920f97Peter Shannon
Minor fixes made to pair_buck_coul_cut_omp.cpp and pair_buck_coul_cut_omp.h 
Jun 1 2010
91d52a93810cPeter Shannon
Added in.melt-buck and in.melt-buck-omp 
Jun 1 2010
c00c60c86dc6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4219 f3b2605a-c512-4ea7… 
Jun 1 2010
ac8c8e9d626dPeter Shannon
remove log.lammps 
Jun 1 2010
99dd16396534sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4217 f3b2605a-c512-4ea7… 
Jun 1 2010
3ad6f1e88a5fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4216 f3b2605a-c512-4ea7… 
Jun 1 2010
d8d34a9d8247Peter Shannon
new testing directory 
Jun 1 2010
29b075c8a2e7Peter Shannon
Added in.melt-cut-coul-cut and in.melt-cut-coul-cut-omp 
Jun 1 2010
7537df44a698Peter Shannon
Added in.melt-yukawa and in.melt-yukawa-omp 
Jun 1 2010
f9c9763bfdb3sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4214 f3b2605a-c512-4ea7… 
Jun 1 2010
a9bf968ce540sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4213 f3b2605a-c512-4ea7… 
Jun 1 2010
a9cdb2f856a6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4212 f3b2605a-c512-4ea7… 
Jun 1 2010
0bf07db002cbsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4211 f3b2605a-c512-4ea7… 
Jun 1 2010
b66c416fe927Axel Kohlmeyer
some minor rearrangements 
Jun 1 2010
a3e4907ef07dAxel Kohlmeyer
update. 
Jun 1 2010
169d93ef1f8cAxel Kohlmeyer
add test for tersoff/zbl 
Jun 1 2010
37665debb9f2Axel Kohlmeyer
add some tersoff potential optimizations 
Jun 1 2010
ec523ee3ef3bAxel Kohlmeyer
added OpenMP versions of tersoff and tersoff/zbl 
May 31 2010
2b9abca74b86Axel Kohlmeyer
need to call thread-safe tally function. 
May 31 2010
427d5b4c1898Axel Kohlmeyer
update benchmark data collection and charts 
May 31 2010
4f22cefeb519Axel Kohlmeyer
more files to ignore. 
May 31 2010
1265471af5ddAxel Kohlmeyer
updat CG-CMM inputs, add new input for OpenMP. 
May 31 2010
6641c3b0abe9Axel Kohlmeyer
Update README. 
May 31 2010
fdc835377291Axel Kohlmeyer
update Install.sh to current state. reordered. 
May 31 2010
266fef3baae8Axel Kohlmeyer
added OpenMP version of non-charged cg/cmm style. 
May 31 2010
facc1c870c1fAxel Kohlmeyer
add c++ cookie in header. 
May 31 2010
e97b7f283fbbAxel Kohlmeyer
Merge branch 'lammps-icms' into openmp-pair-styles 
May 31 2010
5f5a9f99a2a2Axel Kohlmeyer
a couple more files to ignore in src/ 
May 31 2010
5966a5e3a29fAxel Kohlmeyer
import a first set of benchmark numbers. 
May 31 2010
de51224a97b1Axel Kohlmeyer
add emacs cookies to recognize .h files as c++ 
May 30 2010
41616a74b8f6Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
May 30 2010
c1def2e7a2cdAxel Kohlmeyer
list some more files to be ignored. 
May 29 2010
e2d5014a5a2cAxel Kohlmeyer
remove executable permissions from c++ sources 
May 29 2010
8522946f91faAxel Kohlmeyer
Merge branch 'openmp-pair-styles' into lammps-icms 
May 29 2010
e70e9e49e1d4Axel Kohlmeyer
Merge branch 'lammps-awesome' into lammps-icms 
May 29 2010
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