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Diffusion lammps (efficient_neuronet) Graph

lammps/src/MANYBODY
efficient_neuronet

History Graph

CommitAuthorDetailsCommitted
d298283b5671Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Sep 21 2016
3eee5849565bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15612 f3b2605a-c512-4ea7… 
Sep 20 2016
f1d3637b0387sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15605 f3b2605a-c512-4ea7… 
Sep 20 2016
21777f52604fAxel Kohlmeyer
permissions cleanup 
Sep 16 2016
423052134b98sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15567 f3b2605a-c512-4ea7… 
Sep 13 2016
ad2ccf6f2725Axel Kohlmeyer
implement vashishta/table/omp in USER-OMP 
Sep 8 2016
4353fe8d91ceAxel Kohlmeyer
created vashishta/table variant 
Sep 8 2016
06b7d56e168fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15560 f3b2605a-c512-4ea7… 
Sep 7 2016
958e3e6a80e7sjplimp
sync with Git 
Aug 30 2016
bb234349ec86Axel Kohlmeyer
Merge branch 'initialize_pointers' of https://github.com/andeplane/lammps into… 
Aug 29 2016
4a7d389f42a4Axel Kohlmeyer
optimize twobody term by passing a const reference instead of a pointer 
Aug 28 2016
3ca518703c83Axel Kohlmeyer
updated and slightly refactored tabulation for vashishta pair style 
Aug 28 2016
97901d0f7a94Anders Hafreager
Fixed initialization of arrays in computes/fixes in MANYBODY package 
Aug 25 2016
97ffbb68fd89Anders Hafreager
Added curly brackets and spaces for better code readability 
Aug 22 2016
001c559a261bAnders Hafreager
Fixed so tabulated pair_vashishta uses same pair_modify command style as other… 
Aug 22 2016
a27c2759b488Anders Hafreager
Remembering to clean up memory with new arrays in vashishta. 
Aug 17 2016
233a1c3e84a3Anders Hafreager
Added 3-body neighbor list building for faster short range 3 body forces. 
Aug 17 2016
08228bd62d12Anders Hafreager
Added tabulated version of vashishta potential 
Aug 17 2016
1d17eed48ca5Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jul 31 2016
b5836fa49170sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15401 f3b2605a-c512-4ea7… 
Jul 30 2016
396523a0daacAxel Kohlmeyer
Merge branch 'add-gw' into lammps-icms 
Jun 21 2016
d55f968432a4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7… 
Jun 18 2016
101a1a459a04Axel Kohlmeyer
add respa level support to a large number of fixes 
Jun 16 2016
0f3e4182e869sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15109 f3b2605a-c512-4ea7… 
Jun 7 2016
55b5c0f272fcAxel Kohlmeyer
avoid division by zero when setting up parameters for vashishta pair style 
Jun 5 2016
15068b635478sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15100 f3b2605a-c512-4ea7… 
Jun 2 2016
876b033ea862sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15083 f3b2605a-c512-4ea7… 
May 31 2016
22d18007c54cAxel Kohlmeyer
another set of changes to appease coverity scan and to ensure proper… 
May 22 2016
dae561063d68Axel Kohlmeyer
enforce initialization of variables to reduce false positives in coverity 
May 19 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
212f64d2f16fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15040 f3b2605a-c512-4ea7… 
May 12 2016
6eab0db61c94Axel Kohlmeyer
do not redeclare per loop variables, that exist globally 
May 11 2016
3d40650a6416Axel Kohlmeyer
correct/update attribution 
May 6 2016
bf1501ad1d8bAxel Kohlmeyer
incorporate gao-weber potential implementation by german samolyuk 
May 6 2016
997099253b5asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14911 f3b2605a-c512-4ea7… 
Apr 30 2016
2aa298287097Axel Kohlmeyer
clean up some logic in AIREBO splines 
Apr 28 2016
e18f5a903bbasjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14835 f3b2605a-c512-4ea7… 
Apr 15 2016
8e36364f5ceasjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14805 f3b2605a-c512-4ea7… 
Apr 7 2016
763c95b08ff4Axel Kohlmeyer
improved logic checking for incomple potential files in EIM 
Mar 29 2016
5fb8bad60e5dAxel Kohlmeyer
small updates to address issues flagged by coverity scan 
Mar 29 2016
7910ec32971fAxel Kohlmeyer
update from trung with bugfixes for tersoff/sw and new tersoff/mod/gpu and… 
Mar 28 2016
e2a42cf15cc4Axel Kohlmeyer
add additional sanity check to reading polymorphic potential file 
Mar 26 2016
68d7102de76aAxel Kohlmeyer
detect if an outdated version of a polymorphic potential file is read 
Mar 22 2016
c1c464d0335dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14779 f3b2605a-c512-4ea7… 
Mar 22 2016
8f3d0f743e69sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14773 f3b2605a-c512-4ea7… 
Mar 22 2016
5f6a4fb5d8basjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14771 f3b2605a-c512-4ea7… 
Mar 22 2016
36776f425b93sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14756 f3b2605a-c512-4ea7… 
Mar 21 2016
d4f56129049cAxel Kohlmeyer
pair style rebo/morse makes no sense. removed. 
Mar 15 2016
906ebc261e71Axel Kohlmeyer
Integrate AIREBO-M by merging it into regular AIREBO and building wrapper… 
Mar 15 2016
1a9f4dbcef0bAxel Kohlmeyer
prepare for merging in AIREBO-M code 
Mar 15 2016
21163ae28b36Axel Kohlmeyer
it is bad practice to overwrite members from other classes, and not needed here… 
Mar 15 2016
4f50ad2a6a1dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14687 f3b2605a-c512-4ea7… 
Feb 26 2016
3d9610116ca1Axel Kohlmeyer
fix output segfault bug in comb3 reported on lammps-users 
Feb 18 2016
1d9d6f924170Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Feb 16 2016
468ef144d450sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14602 f3b2605a-c512-4ea7… 
Feb 15 2016
70aa37e4c852sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14589 f3b2605a-c512-4ea7… 
Feb 15 2016
6ed1f1df2f87Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Feb 9 2016
9e20448834a5sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14582 f3b2605a-c512-4ea7… 
Feb 8 2016
dd2d454fc442sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14519 f3b2605a-c512-4ea7… 
Jan 29 2016
16cb8e140aa4Axel Kohlmeyer
fix incorrect code for deleting arrays 
Jan 27 2016
445807e1f36bAxel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Jan 26 2016
49051197a92esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14494 f3b2605a-c512-4ea7… 
Jan 26 2016
f6f88c2f2804sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14455 f3b2605a-c512-4ea7… 
Jan 15 2016
47e8ef8cc7fcAxel Kohlmeyer
restore bugfix 
Dec 24 2015
5e8d04a07f75Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Dec 24 2015
f0cd77adefcdsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14401 f3b2605a-c512-4ea7… 
Dec 23 2015
f7e17e97e8f3sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14379 f3b2605a-c512-4ea7… 
Dec 17 2015
bb6de06ecaefAxel Kohlmeyer
dead code removal 
Dec 16 2015
e4897f9c7240Axel Kohlmeyer
honor LAMMPS_POTENTIALS consistently in COMB3 
Dec 14 2015
5affb6c013bdAxel Kohlmeyer
Merge branch 'master' into lammps-icms 
Dec 11 2015
03a900697933sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14350 f3b2605a-c512-4ea7… 
Dec 10 2015
807e00de9333sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14346 f3b2605a-c512-4ea7… 
Dec 10 2015
e7d896a45938Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Dec 10 2015
a473a42a9c3csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14308 f3b2605a-c512-4ea7… 
Dec 9 2015
b741a7771217sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14243 f3b2605a-c512-4ea7… 
Nov 7 2015
1e9a4cc4b808Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Oct 31 2015
354e20f43157sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7… 
Oct 30 2015
3bbba19e854aAxel Kohlmeyer
correct bug in cleanup script and update permissions accordingly 
Oct 27 2015
476bb5699d76Axel Kohlmeyer
remove unused header file 
Oct 27 2015
39a6bcfaddd8Axel Kohlmeyer
use #include <...> for C++ system header 
Oct 27 2015
9c8fb961dcbaAxel Kohlmeyer
fix permissions for source files 
Oct 24 2015
cee848f94865sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14164 f3b2605a-c512-4ea7… 
Oct 23 2015
9a878cdd6718sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14128 f3b2605a-c512-4ea7… 
Oct 21 2015
bf26b12668a4athomps
Added vashishta to USER-OMP from Axel 
Oct 21 2015
8a0500fb1caaAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Oct 20 2015
45a91eaded08athomps
Added Xiong's name and cleaned up code 
Oct 19 2015
2987e6531b6fAxel Kohlmeyer
correct small oversight in last commit 
Oct 16 2015
5859d53c55feAxel Kohlmeyer
map pointer in manybody styles should be initialized to zero 
Oct 16 2015
47c291386261Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Oct 16 2015
2675f362e17dathomps
Added acknowledgement for Xiong 
Oct 15 2015
834731ddb4f4athomps
Propoaged SW cutoff fix into similar code elsewhere 
Oct 15 2015
99e3bbbb5031Axel Kohlmeyer
remove dead code 
Oct 15 2015
c7170a4296b4athomps
Added Vashishta potential 
Oct 15 2015
1cc29e537a72Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Oct 15 2015
aa6624c029fdathomps
Protected against numerical overflow at cutoff 
Oct 15 2015
c7842922980bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14093 f3b2605a-c512-4ea7… 
Oct 5 2015
56ee1b670b3bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14088 f3b2605a-c512-4ea7… 
Oct 5 2015
3c6c71473cbcathomps/Axel Kohlmeyer
Fixed negligible error in Tersoff and COMB 
Oct 1 2015
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