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Diffusion lammps (lammps-icms) Graph

lammps/src
lammps-icms

History Graph

CommitAuthorDetailsCommitted
b2ce582a4060Axel Kohlmeyer
make compute com and gyration compatible with dynamic groups 
May 24 2016
3fe7cf47b662Axel Kohlmeyer
remove dead code 
May 23 2016
28b2278d19a4Axel Kohlmeyer
Merge branch 'merge-pull-62' into lammps-icms 
May 23 2016
9f602c599d58Axel Kohlmeyer
move update morse/soft pair style into designated folder and remove trailing… 
May 23 2016
01119ffe42b0Richard Berger
Fix copy & paste error in info command 
May 23 2016
22d18007c54cAxel Kohlmeyer
another set of changes to appease coverity scan and to ensure proper… 
May 22 2016
dd1edcbe800bAxel Kohlmeyer
Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps… 
May 20 2016
d6141644eb9eAxel Kohlmeyer
use a scaling factor instead of an addition to derive saferzone from safezone 
May 19 2016
dae561063d68Axel Kohlmeyer
enforce initialization of variables to reduce false positives in coverity 
May 19 2016
10d332de00a2Axel Kohlmeyer
per-atom memory allocation inconcistency correction that was overlooked 
May 18 2016
55ef583bc235Axel Kohlmeyer
bugfix for improper style hybrid with improper_coeff none 
May 18 2016
7dc53b79e3b1Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
May 14 2016
05f90885cd67Axel Kohlmeyer
third round of making per-atom allocations consistent 
May 13 2016
068898765ab5Axel Kohlmeyer
second round of making per-atom allocations consistent. 
May 13 2016
4c07a99a7a88Axel Kohlmeyer
make certain, that per atom storage is consistently allocated for per-atom… 
May 13 2016
723f02501f52sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15058 f3b2605a-c512-4ea7… 
May 13 2016
6334768dd14esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15057 f3b2605a-c512-4ea7… 
May 13 2016
c126ebf50d15sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15054 f3b2605a-c512-4ea7… 
May 13 2016
9200f6bf76f6Axel Kohlmeyer
make voro array allocations safe for systems with no local atoms in a subdomain 
May 13 2016
6c80e2cc59f1Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
May 13 2016
c75cc25d6c7bAxel Kohlmeyer
tally REBO, LJ and TORSION energy terms into separate accumulators accessible… 
May 12 2016
f436dd30f14dAxel Kohlmeyer
fix permissions 
May 12 2016
c5b34d683dd8Axel Kohlmeyer
make airebo code safer against division by zero 
May 12 2016
3fc88d920587sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15044 f3b2605a-c512-4ea7… 
May 12 2016
212f64d2f16fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15040 f3b2605a-c512-4ea7… 
May 12 2016
c465f77cb745Axel Kohlmeyer
update purge list with newly deleted pair style from USER-DPD package 
May 12 2016
9efcf1359e70Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
May 12 2016
f7637bf64b52sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15035 f3b2605a-c512-4ea7… 
May 11 2016
21f3a8318fd8sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15026 f3b2605a-c512-4ea7… 
May 11 2016
6e5353e844c1sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15025 f3b2605a-c512-4ea7… 
May 11 2016
8b330431f362Axel Kohlmeyer
use sanitized macro for isfinite() 
May 11 2016
4a164bd7d97fAxel Kohlmeyer
fix write_dump bug reported by Kurt Sjoblom on lammps-users. 
May 11 2016
63c3134fcd29Axel Kohlmeyer
protect neighbor lists against segfaults due to non-numeric position data 
May 11 2016
6eab0db61c94Axel Kohlmeyer
do not redeclare per loop variables, that exist globally 
May 11 2016
df5fe6d5de4cAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
May 11 2016
c0d0b75923dfsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15024 f3b2605a-c512-4ea7… 
May 11 2016
e2790b1c630bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15023 f3b2605a-c512-4ea7… 
May 11 2016
5253f2aae180sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15019 f3b2605a-c512-4ea7… 
May 11 2016
a6d45861d2a8sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15016 f3b2605a-c512-4ea7… 
May 10 2016
548fa007a63aAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
May 10 2016
2b75c78f697dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14994 f3b2605a-c512-4ea7… 
May 10 2016
e0650f659dedsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14990 f3b2605a-c512-4ea7… 
May 10 2016
3d40650a6416Axel Kohlmeyer
correct/update attribution 
May 6 2016
bf1501ad1d8bAxel Kohlmeyer
incorporate gao-weber potential implementation by german samolyuk 
May 6 2016
9e23f0540efbstamoor
Fixing Kokkos bug 
May 6 2016
8ee124a4d8bastamoor
Fixing Kokkos bug 
May 6 2016
889065b70e5dAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
May 4 2016
f4dc6a4f6d33Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
May 3 2016
fc871eea781bAxel Kohlmeyer
Merge branch 'chunk-atom-fix' of https://github.com/akohlmey/lammps into merge… 
May 3 2016
c6968818365dstamoor
Enabling new kokkos view 
May 3 2016
3b03474d79dcsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14932 f3b2605a-c512-4ea7… 
May 3 2016
8da30644a727sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14930 f3b2605a-c512-4ea7… 
May 3 2016
98877f7e3cabsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14927 f3b2605a-c512-4ea7… 
May 3 2016
bccca1c71270sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14926 f3b2605a-c512-4ea7… 
May 3 2016
ee668fce7febstamoor
Reverting accidental changes 
May 3 2016
1af05e82c26bstamoor
Collapsing kokkos half and half/thread neighbor lists 
May 3 2016
e54926fc7d18Axel Kohlmeyer
fix typo 
May 3 2016
c843d01b3b86Axel Kohlmeyer
add check on repeated dimensions in 2d and 3d binning 
May 3 2016
8ca6dba70b50Axel Kohlmeyer
add check on repeated dimensions in 2d and 3d binning 
May 3 2016
f627a42fa1d8Axel Kohlmeyer
make pair style zero behave consistently wrt missing pair_coeff settings 
May 3 2016
4a5118732bd9Axel Kohlmeyer
add support for writing out parameters to data files 
May 3 2016
5c16aa0064e6Axel Kohlmeyer
avoid segfault when using as hybrid pair style 
May 3 2016
c5c293d16f4dstamoor
Adding signal handler to Kokkos package 
May 3 2016
05f64c3e7c20Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
May 1 2016
e41fe1cb39acsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14915 f3b2605a-c512-4ea7… 
Apr 30 2016
b29c07bd7623sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14914 f3b2605a-c512-4ea7… 
Apr 30 2016
6ff2012d881csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14912 f3b2605a-c512-4ea7… 
Apr 30 2016
997099253b5asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14911 f3b2605a-c512-4ea7… 
Apr 30 2016
10ad7e347550sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14909 f3b2605a-c512-4ea7… 
Apr 30 2016
284e4a1b1249Axel Kohlmeyer
fix one-line bug introduced by mods to fix property/atom 
Apr 29 2016
acde2db77df1Axel Kohlmeyer
remove XTC package, now that its contents have surfaced in MISC 
Apr 29 2016
2228887ceca9Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Apr 29 2016
27a5902ed273Axel Kohlmeyer
add support for per atom mass to fix property/atom 
Apr 28 2016
2aa298287097Axel Kohlmeyer
clean up some logic in AIREBO splines 
Apr 28 2016
d0696ed79cb6Axel Kohlmeyer
fix minor issues flagged by gcc 6.1 
Apr 28 2016
51f82750bf29sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14905 f3b2605a-c512-4ea7… 
Apr 28 2016
19122f203ea3sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14902 f3b2605a-c512-4ea7… 
Apr 28 2016
6bc6d4511603sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14901 f3b2605a-c512-4ea7… 
Apr 28 2016
0d4d950ce0c2sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14898 f3b2605a-c512-4ea7… 
Apr 28 2016
71926fe3d539sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14897 f3b2605a-c512-4ea7… 
Apr 28 2016
6c776aefc07bAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Apr 28 2016
7bb334a86bd8Axel Kohlmeyer
make reax/c better at handling large systems on 64-bit machines, where a "long… 
Apr 27 2016
5f86c15dd224sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14895 f3b2605a-c512-4ea7… 
Apr 27 2016
05d35188c708stamoor
bugfix from Axel 
Apr 27 2016
c5f83fc7dda6Axel Kohlmeyer
adjust compute temp/partial behavior as suggested by aidan 
Apr 27 2016
4aade6189e35Axel Kohlmeyer
remove standalone mersenne twister implementation. 
Apr 27 2016
de6e697fffdcAxel Kohlmeyer
unlike with other manybody potential, all processes in reax/c read the… 
Apr 27 2016
52aa90b7e416Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Apr 27 2016
7b0034cb7a8fAxel Kohlmeyer
need to properly initialize ke_target or valgrind gets very unhappy 
Apr 27 2016
79be5c4f8a21Axel Kohlmeyer
fix typo and handle fix nphug/omp correctly 
Apr 27 2016
579b61641ec8stamoor
Fixing restart error 
Apr 27 2016
2a3cca356824Axel Kohlmeyer
must initialize member variable noinit before use in write_restart 
Apr 27 2016
cab3fef91326sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14890 f3b2605a-c512-4ea7… 
Apr 27 2016
0da53bb3e391stamoor
Fixing compile error 
Apr 27 2016
92b45d01631esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14888 f3b2605a-c512-4ea7… 
Apr 27 2016
b3732e76f83dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14885 f3b2605a-c512-4ea7… 
Apr 26 2016
5d6b6a0a0ac6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14883 f3b2605a-c512-4ea7… 
Apr 26 2016
d004bfef608dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14882 f3b2605a-c512-4ea7… 
Apr 26 2016
e7363b47640bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14881 f3b2605a-c512-4ea7… 
Apr 26 2016
325295bfaa4fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14880 f3b2605a-c512-4ea7… 
Apr 26 2016
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