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Diffusion lammps (runner) Graph

lammps/src
runner

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CommitAuthorDetailsCommitted
9dc8102ac4a3athomps
Updated compute hexorder/atom, added compute orientorder/atom 
Nov 16 2015
70aba85d3130athomps
Updated compute hexorder/atom, added compute orientorder/atom 
Nov 15 2015
da1a3ac83af4athomps
Fixed error in onemols initialization when gcmc uses non-first molecule template 
Nov 12 2015
4c19f6060626athomps
Fixed uninitialized variable for multiple molecule in set 
Nov 12 2015
a61df922c3b8athomps
got rid of std:complex_literals i1 
Nov 10 2015
6d6d8345bf00sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14245 f3b2605a-c512-4ea7… 
Nov 7 2015
b741a7771217sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14243 f3b2605a-c512-4ea7… 
Nov 7 2015
fa9af07140baathomps
Added hexatic bond orientational order parameter 
Nov 5 2015
3bc7350704d2athomps
Added hexatic bond orientational order parameter 
Nov 5 2015
4f71701e4ef2athomps
Added hexatic bond orientational order parameter 
Nov 5 2015
a91bbaf7f276athomps
Added hexatic bond orientational order parameter 
Nov 5 2015
f227080d703cathomps
Added hexatic bond orientational order parameter 
Nov 4 2015
34e1f5c71e86sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14227 f3b2605a-c512-4ea7… 
Oct 31 2015
a2481116c573sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14225 f3b2605a-c512-4ea7… 
Oct 30 2015
260d9f419260sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14221 f3b2605a-c512-4ea7… 
Oct 30 2015
354e20f43157sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7… 
Oct 30 2015
628190cbcb86sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14215 f3b2605a-c512-4ea7… 
Oct 30 2015
0035a690d15bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14207 f3b2605a-c512-4ea7… 
Oct 23 2015
ff974eb07779sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14200 f3b2605a-c512-4ea7… 
Oct 23 2015
08157510b702sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14197 f3b2605a-c512-4ea7… 
Oct 23 2015
e53f61a8691bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14196 f3b2605a-c512-4ea7… 
Oct 23 2015
021a327e851asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14191 f3b2605a-c512-4ea7… 
Oct 23 2015
9057c423506fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14187 f3b2605a-c512-4ea7… 
Oct 23 2015
b45a8bb7e3d9sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14180 f3b2605a-c512-4ea7… 
Oct 23 2015
9cf48b934967sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14176 f3b2605a-c512-4ea7… 
Oct 23 2015
d815b390baf1sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14175 f3b2605a-c512-4ea7… 
Oct 23 2015
cfbe572aa5a7sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14173 f3b2605a-c512-4ea7… 
Oct 23 2015
0eb2e8f9cb98sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14172 f3b2605a-c512-4ea7… 
Oct 23 2015
0068c45c803dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14166 f3b2605a-c512-4ea7… 
Oct 23 2015
cee848f94865sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14164 f3b2605a-c512-4ea7… 
Oct 23 2015
b229c719d0d3sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14163 f3b2605a-c512-4ea7… 
Oct 22 2015
1eeeb028f914stamoor
Small tweak for compatibility with different versions of lscpu 
Oct 22 2015
066e7598c9b6athomps
Fixed problem with box flips under NVT 
Oct 22 2015
e512ca27a7e6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14158 f3b2605a-c512-4ea7… 
Oct 22 2015
46e7b6417603sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14157 f3b2605a-c512-4ea7… 
Oct 22 2015
4ce32a301c7dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14156 f3b2605a-c512-4ea7… 
Oct 21 2015
bc1cf9965e75sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14155 f3b2605a-c512-4ea7… 
Oct 21 2015
a2604e221e48sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14152 f3b2605a-c512-4ea7… 
Oct 21 2015
5775cf2f9355sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14151 f3b2605a-c512-4ea7… 
Oct 21 2015
50733f2482aesjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14148 f3b2605a-c512-4ea7… 
Oct 21 2015
3830813864c4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14147 f3b2605a-c512-4ea7… 
Oct 21 2015
87ae4919a958sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14144 f3b2605a-c512-4ea7… 
Oct 21 2015
1953fd7feea0sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14143 f3b2605a-c512-4ea7… 
Oct 21 2015
7163eaf6005fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14142 f3b2605a-c512-4ea7… 
Oct 21 2015
8a10c55a3b2csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14139 f3b2605a-c512-4ea7… 
Oct 21 2015
abe4c06219b8sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14138 f3b2605a-c512-4ea7… 
Oct 21 2015
b036260091bdsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14135 f3b2605a-c512-4ea7… 
Oct 21 2015
d145ae099ed8sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14134 f3b2605a-c512-4ea7… 
Oct 21 2015
ef82677cb25csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14129 f3b2605a-c512-4ea7… 
Oct 21 2015
9a878cdd6718sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14128 f3b2605a-c512-4ea7… 
Oct 21 2015
b2c2e38ba396sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14126 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
7b16c435b6c2athomps
Made molecule ID for molecule group to minus 1 
Oct 19 2015
9025f65fad7dathomps
Fixed MINe type 
Oct 16 2015
ce6210557023athomps
Require type argument be zero when mol keyword used 
Oct 15 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
d4870cd69f7csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14114 f3b2605a-c512-4ea7… 
Oct 15 2015
5f1eddedcf1csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14113 f3b2605a-c512-4ea7… 
Oct 15 2015
b437d74c75c0sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14112 f3b2605a-c512-4ea7… 
Oct 13 2015
537e951c6d8dathomps
added tfac_insert keyword and changed molecule insertion velocities PRNG 
Oct 13 2015
dcb68f4c9786athomps
Added deprecated warning message to pair_style reax 
Oct 7 2015
bb48e4789521sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14094 f3b2605a-c512-4ea7… 
Oct 5 2015
c7842922980bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14093 f3b2605a-c512-4ea7… 
Oct 5 2015
5fa97f537abdsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14092 f3b2605a-c512-4ea7… 
Oct 5 2015
fa6ad89b99absjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14091 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
6f038ab6d04dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14087 f3b2605a-c512-4ea7… 
Oct 5 2015
3f3165af39fdsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14086 f3b2605a-c512-4ea7… 
Oct 2 2015
e5514189ba45athomps
Fixed negligible error in Tersoff and COMB 
Oct 1 2015
a6d7932ef46asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14082 f3b2605a-c512-4ea7… 
Sep 28 2015
4f4ba3f7bf3estamoor
Tweak to Kokkos Cuda Makefile allowing it to automatically find the nvcc wrapper 
Sep 25 2015
f384db5c2eeesjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14076 f3b2605a-c512-4ea7… 
Sep 25 2015
8fd8c25e7c3fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14074 f3b2605a-c512-4ea7… 
Sep 25 2015
ef4e8f288aa4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14071 f3b2605a-c512-4ea7… 
Sep 24 2015
9bdec3026069sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14068 f3b2605a-c512-4ea7… 
Sep 24 2015
d2ee16c936cesjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14065 f3b2605a-c512-4ea7… 
Sep 24 2015
546186739cecsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14064 f3b2605a-c512-4ea7… 
Sep 24 2015
53a8a038e82bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14061 f3b2605a-c512-4ea7… 
Sep 24 2015
448b9f66f0fasjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14058 f3b2605a-c512-4ea7… 
Sep 24 2015
a6ff24caa3fbsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14053 f3b2605a-c512-4ea7… 
Sep 24 2015
0cc260a1aff4stamoor
Slight tweak to Kokkos Cuda Makefile 
Sep 24 2015
fe3c6670f6b4athomps
Modifed ZBL to accomodate mixing 
Sep 23 2015
ca55525283f0athomps
Fixed problem with read_dump xyz 
Sep 18 2015
ed7559f32957athomps
Made insertion work correctly for triclinic 
Sep 12 2015
5cbf3cfba5f1athomps
Fixed triclinic bug in gcmc and qtype bug atom/swap 
Sep 12 2015
54210d7a9b2fathomps
Fixed triclinic bug in gcmc and qtype bug atom/swap 
Sep 11 2015
41ef5b75a95asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14032 f3b2605a-c512-4ea7… 
Sep 11 2015
d32cd3cf51eesjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14029 f3b2605a-c512-4ea7… 
Sep 11 2015
d9d9a2a496f2sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14028 f3b2605a-c512-4ea7… 
Sep 11 2015
9effcca0df71sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14025 f3b2605a-c512-4ea7… 
Sep 11 2015
8fe7c3d47f76sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14022 f3b2605a-c512-4ea7… 
Sep 9 2015
ebbc55b98892sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14021 f3b2605a-c512-4ea7… 
Sep 9 2015
556bde6dc1b0sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14016 f3b2605a-c512-4ea7… 
Sep 9 2015
abbf8d2878c8sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14015 f3b2605a-c512-4ea7… 
Sep 9 2015
11fea8576926sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14014 f3b2605a-c512-4ea7… 
Sep 9 2015
71054c590af3sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14013 f3b2605a-c512-4ea7… 
Sep 9 2015
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