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Diffusion lammps (lammm-devel) Graph

lammps/src/MANYBODY
lammm-devel

History Graph

CommitAuthorDetailsCommitted
2535e44991a2sjplimp/GitHub
Merge pull request #271 from akohlmey/tersoff-modc 
Nov 17 2016
cdae7943833dsjplimp/GitHub
Merge pull request #242 from andeplane/vashishta_kokkos 
Nov 17 2016
3e36ec37542cAxel Kohlmeyer
remove unused class member 
Nov 9 2016
9ed5c4f0fa98Axel Kohlmeyer
Merge branch 'master' into kokkos-vashishta 
Nov 9 2016
71ee2ecaa1e0Axel Kohlmeyer
integrate pair style tersoff/mod/c contributed by Ganga P Purja Pun (GMU) 
Nov 9 2016
30dede867af9Anders Hafreager
Initialize pointers in MANYBODY and MC 
Nov 7 2016
32e0a5834319sjplimp/GitHub
Merge pull request #247 from akohlmey/bounds-error-with-code-line 
Nov 4 2016
02510ec3217cAxel Kohlmeyer
add temporary force accumulation to local variables for vashishta styles 
Nov 3 2016
33140e500493Axel Kohlmeyer
accumulate forces in temporary local variables for tersoff 
Nov 3 2016
639fb6f444a0Axel Kohlmeyer
use local variables for more efficient force accumulation 
Nov 2 2016
b156771721eeAxel Kohlmeyer
build short neighbor list for sw on based on ij parameters only 
Nov 2 2016
e37d2b5c9431Anders Hafreager
Calculating short neighbor lists 
Oct 29 2016
f9a9e27f5a9aAxel Kohlmeyer
add error location propagation to atom->set_mass() and atom->check_mass() 
Oct 26 2016
35753b8f089eAxel Kohlmeyer
add error location propagation to force->bounds() and force->boundsbig() 
Oct 26 2016
ef9f7c818e1aAxel Kohlmeyer
fix off-by-one bug in buffer re-allocator 
Oct 26 2016
3267b345904eAxel Kohlmeyer
simplify short neighbor list implementation. remove unneeded class member 
Oct 26 2016
0a417b4016f3Axel Kohlmeyer
add short neighbor list support to pair style tersoff 
Oct 26 2016
399c0af150e3Axel Kohlmeyer
consistent short neighbor list for vashishta and vashishta/table 
Oct 26 2016
e8b3f79690d5Axel Kohlmeyer
fully tested multi-element compatible short neighbor list for Stillinger-Weber 
Oct 26 2016
039bda9b61dbAnders Hafreager/Axel Kohlmeyer
Added updated vashishta for KOKKOS support 
Oct 25 2016
b3d2fb91bb6cSteve Plimpton
new fix wall/gran/region command, REBO bug fix, new example log files 
Oct 6 2016
a3e05a2bac7dAxel Kohlmeyer
permission cleanup 
Oct 1 2016
281ace327fb1Axel Kohlmeyer
we should scale energies as well as forces 
Sep 20 2016
c6ee5065ed20Axel Kohlmeyer
allow to override PairEAM::extract() 
Sep 20 2016
5c37fccf49c2Steve Plimpton
fix ti/spring for eam/allow and eam/fs 
Sep 20 2016
b9b044e180dfSteve Plimpton
new fix ti/spring command, remove fix ti/rs 
Sep 20 2016
5c927ca8398eAxel Kohlmeyer
Merge remote-tracking branch 'lammps-rw/integration' into vashishta-tabulation 
Sep 8 2016
4bb42be3cc09Axel Kohlmeyer
implement vashishta/table/omp in USER-OMP 
Sep 8 2016
2524c5b52654Steve Plimpton
Merge branch 'small-bugfixes' of https://github.com/akohlmey/lammps into small 
Sep 8 2016
236ebf7fabbbSteve Plimpton
Kokkos lib update 
Sep 8 2016
9b2d5ff3e72dAxel Kohlmeyer
remove executable permissions on non-executables and non-scripts 
Sep 8 2016
43b05a60c70eSteve Plimpton
created vashishta/table variant 
Sep 7 2016
b12ad2cecf64Axel Kohlmeyer
Merge branch 'integration' into vashishta-tabulation 
Sep 1 2016
f9a21ae65496Anders Hafreager/Axel Kohlmeyer
Fixed initialization of arrays in computes/fixes in MANYBODY package 
Aug 29 2016
490b3402a786Axel Kohlmeyer
optimize twobody term by passing a const reference instead of a pointer 
Aug 28 2016
ebce76c7f063Axel Kohlmeyer
updated and slightly refactored tabulation for vashishta pair style 
Aug 28 2016
bf59c976f853Anders Hafreager/Axel Kohlmeyer
Added curly brackets and spaces for better code readability 
Aug 28 2016
06cc38e16cfdAnders Hafreager/Axel Kohlmeyer
Fixed so tabulated pair_vashishta uses same pair_modify command style as other… 
Aug 28 2016
10ec14f0fddfAnders Hafreager/Axel Kohlmeyer
Remembering to clean up memory with new arrays in vashishta. 
Aug 28 2016
82d9f5f5e635Anders Hafreager/Axel Kohlmeyer
Added 3-body neighbor list building for faster short range 3 body forces. 
Aug 28 2016
944ebdcf44e9Anders Hafreager/Axel Kohlmeyer
Added tabulated version of vashishta potential 
Aug 28 2016
b5836fa49170sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15401 f3b2605a-c512-4ea7… 
Jul 30 2016
d55f968432a4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7… 
Jun 18 2016
0f3e4182e869sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15109 f3b2605a-c512-4ea7… 
Jun 7 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
212f64d2f16fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15040 f3b2605a-c512-4ea7… 
May 12 2016
997099253b5asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14911 f3b2605a-c512-4ea7… 
Apr 30 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
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
4f50ad2a6a1dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14687 f3b2605a-c512-4ea7… 
Feb 26 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
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
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
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
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
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
354e20f43157sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7… 
Oct 30 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
45a91eaded08athomps
Added Xiong's name and cleaned up code 
Oct 19 2015
2675f362e17dathomps
Added acknowledgement for Xiong 
Oct 15 2015
834731ddb4f4athomps
Propoaged SW cutoff fix into similar code elsewhere 
Oct 15 2015
c7170a4296b4athomps
Added Vashishta potential 
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
e5514189ba45athomps
Fixed negligible error in Tersoff and COMB 
Oct 1 2015
916fc0f1cb2asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13889 f3b2605a-c512-4ea7… 
Aug 18 2015
d89332f7d512sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13756 f3b2605a-c512-4ea7… 
Jul 28 2015
fcad65b19801sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13693 f3b2605a-c512-4ea7… 
Jul 23 2015
f7bc08d83d39sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13601 f3b2605a-c512-4ea7… 
Jul 15 2015
d434e66be22asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13546 f3b2605a-c512-4ea7… 
Jul 8 2015
a60a08840398sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13518 f3b2605a-c512-4ea7… 
Jul 6 2015
2a4b310a95d9sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13418 f3b2605a-c512-4ea7… 
Apr 19 2015
ac0b1d1ac371sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13280 f3b2605a-c512-4ea7… 
Mar 24 2015
84a5ec39ec21sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7… 
Mar 24 2015
884e76555b1dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13263 f3b2605a-c512-4ea7… 
Mar 19 2015
acfc16d41aa0sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13262 f3b2605a-c512-4ea7… 
Mar 19 2015
1f77a147c342sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13055 f3b2605a-c512-4ea7… 
Feb 4 2015
4a975dd8cf07sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12957 f3b2605a-c512-4ea7… 
Jan 20 2015
aeb7fec23aa9sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12814 f3b2605a-c512-4ea7… 
Dec 2 2014
7ea9d856aa4fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12809 f3b2605a-c512-4ea7… 
Dec 1 2014
ddb24e696372sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12807 f3b2605a-c512-4ea7… 
Dec 1 2014
f14e5cdce67bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12714 f3b2605a-c512-4ea7… 
Nov 18 2014
7518fae9bcffsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7… 
Oct 21 2014
165dcc31ce4asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12634 f3b2605a-c512-4ea7… 
Oct 10 2014
2cca37351548sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12253 f3b2605a-c512-4ea7… 
Aug 6 2014
1b5905bcbc11sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11970 f3b2605a-c512-4ea7… 
May 12 2014
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