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Diffusion lammps (lammps-icms) Graph

lammps/src
lammps-icms

History Graph

CommitAuthorDetailsCommitted
d15007fe7d2dAxel Kohlmeyer
optimize use of power function with integer power 
Jun 29 2016
93834b0f06eaAxel Kohlmeyer
remove debug output 
Jun 29 2016
aa63c9c3c270Axel Kohlmeyer
plug remaining known memory leaks in USER-DPD 
Jun 29 2016
2f4abe1ec81aAxel Kohlmeyer
properly use FLERR macro 
Jun 29 2016
575f63e8f02fAxel Kohlmeyer
use MathSpecial::powint() instead of fastpowi() hack 
Jun 29 2016
e1d589bc8ddbAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jun 29 2016
df720a4565f2sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15233 f3b2605a-c512-4ea7… 
Jun 29 2016
ee0d6221fc15Axel Kohlmeyer
update .gitignore for recently added packages and features 
Jun 28 2016
a01d08aba493sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15229 f3b2605a-c512-4ea7… 
Jun 28 2016
8c63302c82fdsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15227 f3b2605a-c512-4ea7… 
Jun 28 2016
788ba5543675sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15226 f3b2605a-c512-4ea7… 
Jun 28 2016
ab2fe0113ef4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15223 f3b2605a-c512-4ea7… 
Jun 28 2016
a9e24212d89cAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jun 28 2016
f3a3b1c83809sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15220 f3b2605a-c512-4ea7… 
Jun 28 2016
b58e008caeafsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15217 f3b2605a-c512-4ea7… 
Jun 28 2016
d19428d25743Axel Kohlmeyer
correctly add user-hadress package in list of user packages 
Jun 27 2016
eba0376da307Axel Kohlmeyer
Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps… 
Jun 25 2016
2d96ddcf623fAxel Kohlmeyer
teach read_data to handle empty XXX Coeffs sections and write_data to not… 
Jun 25 2016
d8670ba7e328Axel Kohlmeyer
Merge branch 'merge-gpu-patch' into lammps-icms 
Jun 24 2016
1bfe3a3ff5baAxel Kohlmeyer
Merge branch 'merge-pull-100' into lammps-icms 
Jun 24 2016
6ba8906ce2feAxel Kohlmeyer
Merge branch 'USER-HADRESS' of https://github.com/hadress/lammps into merge… 
Jun 24 2016
7c016aee735eAxel Kohlmeyer
remove trailing whitespace and replace tabs with spaces in gpu library and… 
Jun 24 2016
bc8c50615c6dAxel Kohlmeyer
include patch from trung that addresses issues when using manybody potentials… 
Jun 24 2016
b69f79ca1b98MaziarHeidari
HADRESS_Version_24_Jun_2016 
Jun 24 2016
3424786a4779MaziarHeidari
HADRESS_Version_24_Jun_2016 
Jun 24 2016
1ed74de9a87fMaziarHeidari
HADRESS_Version_24_Jun_2016 
Jun 24 2016
7e4cd4643459MaziarHeidari
HADRESS_Version_24_Jun_2016 
Jun 24 2016
1f7f7bf12b45MaziarHeidari
HADRESS_Version_24_Jun_2016 
Jun 24 2016
824c0a359638MaziarHeidari
HADRESS_Version_24_Jun_2016 
Jun 24 2016
95ec7a3c0e70Axel Kohlmeyer
fixup CR-LF mess 
Jun 24 2016
52f73246b731Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jun 24 2016
0434eb168973stamoor
Adding Kokkos ReaxFF files 
Jun 23 2016
84b7bce41cf6Axel Kohlmeyer
Merge branch 'USER-DPD_restore_atom_style_support' of https://github. 
Jun 23 2016
fb69d36b3eabAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jun 23 2016
0ccd6c6ed96dTim Mattox
Move ssaAIR calculation code from atom_vec_dpd into fix_shardlow. Re-enables… 
Jun 23 2016
6fa216d96cbeAxel Kohlmeyer
add missing newline characters 
Jun 23 2016
67c60a3ac725Axel Kohlmeyer
Merge branch 'update-user-manifold' of https://github.com/Pakketeretet2/lammps… 
Jun 23 2016
eaa3e82aff1aStefan Paquay
Forgot closing quotes. 
Jun 23 2016
20681bac1a63Stefan Paquay
Fixed bibtex entry to be proper bibtex. 
Jun 23 2016
987f7f19c80cStefan Paquay
removed morse soft from wrong branch. 
Jun 23 2016
fa7c2cea4d38stamoor
Adding Kokkos mpi-only Makefile 
Jun 22 2016
a1239e65607aTim Mattox
Fix the SSA AIR number for ghosts that fall exactly on the upper boundary. Bug… 
Jun 21 2016
396523a0daacAxel Kohlmeyer
Merge branch 'add-gw' into lammps-icms 
Jun 21 2016
19e4cc0f101fAxel Kohlmeyer
Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps… 
Jun 21 2016
7e65f67f2ba2Tim Mattox
Fixes a bug when attempting to restart a reaction DPD calculation. 
Jun 21 2016
b01d83f17801Axel Kohlmeyer
force initialization of some member variables in compute rigid/local 
Jun 21 2016
455c123191c4Stefan Paquay
Fixed the citation to be a valid bibtex format. 
Jun 21 2016
881dd7608c13Axel Kohlmeyer
undo commit enabling a known to be broken feature 
Jun 20 2016
9cab25d42c8bAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jun 20 2016
4e62aa6510fcAxel Kohlmeyer
Merge branch 'USER-HADRESS' of https://github.com/hadress/lammps into merge… 
Jun 20 2016
10435ca8dcc7MaziarHeidari
HADRESS_NEW_REVISION 
Jun 20 2016
e707236bf733MaziarHeidari
HADRESS_NEW_REVISION 
Jun 20 2016
e21f430bee9eAxel Kohlmeyer
add thermo keyword that allows to query the remaining timer timeout time 
Jun 20 2016
38c80e129fe8sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15210 f3b2605a-c512-4ea7… 
Jun 18 2016
28a9a22aa614Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jun 18 2016
bcf79f62ebf1sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15206 f3b2605a-c512-4ea7… 
Jun 18 2016
d55f968432a4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7… 
Jun 18 2016
00438d62c0f4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15194 f3b2605a-c512-4ea7… 
Jun 17 2016
503cd8206557sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15190 f3b2605a-c512-4ea7… 
Jun 17 2016
b74ea86bcfe8sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15189 f3b2605a-c512-4ea7… 
Jun 17 2016
e135e3ee798fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15188 f3b2605a-c512-4ea7… 
Jun 17 2016
951e7c916afesjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15187 f3b2605a-c512-4ea7… 
Jun 17 2016
e088eaa53b79sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15186 f3b2605a-c512-4ea7… 
Jun 17 2016
a3f8b258a02fAxel Kohlmeyer
add makefiles for GCC's address and undefined behavior sanitizer 
Jun 17 2016
ad50d592e1c6Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jun 17 2016
6251e04d2ddfAxel Kohlmeyer
Merge branch 'require_atom_style_dpd' of https://github.com/timattox/lammps… 
Jun 16 2016
5adc1859a162Axel Kohlmeyer
Merge branch 'respa-for-fixes' into lammps-icms 
Jun 16 2016
10e934b016cdAxel Kohlmeyer
cleanup for fix ttm/mod 
Jun 16 2016
8a5ab49d2c7cAxel Kohlmeyer
fix smd/setvel doesn't really support r-RESPA. test for it and abend. 
Jun 16 2016
101a1a459a04Axel Kohlmeyer
add respa level support to a large number of fixes 
Jun 16 2016
a23a2407a716Tim Mattox
USER-DPD now requires atom_style dpd due to a recent change. Includes updates… 
Jun 16 2016
6cb38b17d88asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15185 f3b2605a-c512-4ea7… 
Jun 16 2016
c58909faff61Axel Kohlmeyer
Merge branch 'comm2_USER-DPD' of https://github.com/timattox/lammps into merge… 
Jun 16 2016
5640597ca27aTim Mattox
Remove some unneeded communications and memset calls in USER-DPD Gives about a… 
Jun 16 2016
8330ef7f7e2esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15182 f3b2605a-c512-4ea7… 
Jun 16 2016
3922c14fbcdaAxel Kohlmeyer
Merge branch 'lammps-icms' into respa-for-fixes 
Jun 16 2016
69892822df05Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jun 16 2016
14994c04b03asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15180 f3b2605a-c512-4ea7… 
Jun 16 2016
253bd4c3356csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15179 f3b2605a-c512-4ea7… 
Jun 16 2016
e2c3ecb7e802Axel Kohlmeyer
converted fix wall/region to support selecting RESPA level 
Jun 16 2016
4298828d6a97Axel Kohlmeyer
implement changes suggested by steve to move the fix_modify respa parsing into… 
Jun 15 2016
92371fbdaffcAxel Kohlmeyer
tweak output for respa levels 
Jun 15 2016
96f118ff6bb0Axel Kohlmeyer
implement tweaks requested by steve. also do not enforce respa being active and… 
Jun 15 2016
957b77d2137bAxel Kohlmeyer
Merge branch 'lammps-icms' into respa-for-fixes 
Jun 15 2016
66312fac551dAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jun 15 2016
58a091c77359sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15175 f3b2605a-c512-4ea7… 
Jun 15 2016
4615a859c3cfsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15174 f3b2605a-c512-4ea7… 
Jun 15 2016
e8ea08fa8c8esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15170 f3b2605a-c512-4ea7… 
Jun 15 2016
4b8b1d741879Axel Kohlmeyer
Merge branch 'lammps-icms' into respa-for-fixes 
Jun 14 2016
94bb2c09f602Axel Kohlmeyer
small whitespace and formatting cleanup 
Jun 14 2016
6be702581595tegarwicaksono
Added user-FIX-ORIENT-BCC 
Jun 14 2016
ffbce3c10c78sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15168 f3b2605a-c512-4ea7… 
Jun 14 2016
2dbcfdc70c6bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15166 f3b2605a-c512-4ea7… 
Jun 14 2016
ecffbbe53126sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15165 f3b2605a-c512-4ea7… 
Jun 14 2016
ffd1418c2d13Axel Kohlmeyer
remove redundant line of output 
Jun 14 2016
425f6537ec2aAxel Kohlmeyer
update respa information (print time step for all levels), adjusted fix respa… 
Jun 14 2016
ef4e0d163a20Axel Kohlmeyer
can only set respa_level for fix if r-RESPA active. fix off-by-one error 
Jun 13 2016
efb32612f971Axel Kohlmeyer
convert fix setforce to the new respa level scheme 
Jun 13 2016
e150f711961eAxel Kohlmeyer
Merge branch 'lammps-icms' into respa-for-fixes 
Jun 10 2016
c834801277b2Axel Kohlmeyer
plug a bunch of memory leaks detected by valgrind 
Jun 10 2016
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