lammps/potentialsmaster
lammps/potentials
master
History Graph
History Graph
Commit | Author | Details | Committed | |||
---|---|---|---|---|---|---|
ad25a9529758 | Axel Kohlmeyer | whitespace cleanup | Sep 20 2017 | |||
e7d042ba1a0e | Axel Kohlmeyer | convert DOS/Windows CR-LF line endings to native format | Sep 20 2017 | |||
dd49d54889a2 | Steve Plimpton | new SNAP potentials and examples | Sep 20 2017 | |||
5d38cbbce9c6 | sjplimp/GitHub | Merge pull request #487 from akohlmey/pair_edip_multi_element | May 18 2017 | |||
4b1914aa1f29 | Axel Kohlmeyer | update citations for multi-element edip potential | May 18 2017 | |||
8936b99e9f89 | Axel Kohlmeyer | add contributed SiC.edip potential file | May 17 2017 | |||
d9d4ef17c806 | Axel Kohlmeyer | add gao-weber potentials (regular and with ZBL core) with SiC potential files | May 15 2017 | |||
7d9670bc6c48 | DallasTrinkle | Addition of potential, code modifications to incorporate multicomponent spline… | Apr 28 2017 | |||
ef6070cbdeb5 | Axel Kohlmeyer | remove executable permissions for potential files | Mar 28 2017 | |||
4af6557568e7 | sjplimp/GitHub | Merge pull request #394 from jaapkroe/kolmogorov-crespi | Mar 7 2017 | |||
0798885bdb2a | sjplimp/GitHub | Merge pull request #389 from akohlmey/update-agni-potential | Mar 7 2017 | |||
efaa4c67109f | Steve Plimpton | new neigh_modify exclude option, other SNAP changes | Mar 7 2017 | |||
8a0e44db83de | Jaap Kroes | updated documentation and ev_tally | Mar 1 2017 | |||
a1b40b902d3e | Jaap Kroes | Added Kolmogorov-Crespi potential | Feb 28 2017 | |||
a18b4ef4b0cf | Axel Kohlmeyer | update AGNI potential for Al, reference runs and output and citation | Feb 24 2017 | |||
1cd4c48cccdb | Steve Plimpton | new SNAP potential for W | Feb 21 2017 | |||
0068ef56168f | Steve Plimpton | added molecule option to compute group/group command | Feb 10 2017 | |||
f8506fee23e1 | Steve Plimpton | sync GHub with SVN | Jan 26 2017 | |||
74c0e4dd5c10 | sjplimp/GitHub | Merge pull request #278 from akohlmey/pair-agni | Nov 17 2016 | |||
6e1492a86c78 | Axel Kohlmeyer | add potential file for pair style AGNI | Nov 12 2016 | |||
3d3a99c082f7 | Axel Kohlmeyer | added missing potential for tersoff/mod/c | Nov 9 2016 | |||
f48b71f46ba6 | Steve Plimpton | added examples/threebody, fix reaxc/speceies/kk | Nov 4 2016 | |||
4337f2c240d7 | Axel Kohlmeyer | include charmm22 and charmm36 cmap files and include date added signature | Sep 30 2016 | |||
58be921a0932 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15402 f3b2605a-c512-4ea7… | Jul 30 2016 | |||
4eb6664ba8a2 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15400 f3b2605a-c512-4ea7… | Jul 30 2016 | |||
a10c992e380a | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14764 f3b2605a-c512-4ea7… | Mar 22 2016 | |||
d43c4a1bf500 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14315 f3b2605a-c512-4ea7… | Dec 9 2015 | |||
6f443bf17fcb | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14314 f3b2605a-c512-4ea7… | Dec 9 2015 | |||
3d659aba57f1 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14313 f3b2605a-c512-4ea7… | Dec 9 2015 | |||
bac5a15bfcac | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14312 f3b2605a-c512-4ea7… | Dec 9 2015 | |||
f7355d57615d | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14311 f3b2605a-c512-4ea7… | Dec 9 2015 | |||
15c3a778231a | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14310 f3b2605a-c512-4ea7… | Dec 9 2015 | |||
c78f2449b2c1 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14309 f3b2605a-c512-4ea7… | Dec 9 2015 | |||
2a1a318ce7c3 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14206 f3b2605a-c512-4ea7… | Oct 23 2015 | |||
238c17e0c7b3 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14188 f3b2605a-c512-4ea7… | Oct 23 2015 | |||
9057c423506f | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14187 f3b2605a-c512-4ea7… | Oct 23 2015 | |||
d8c16fb28dfc | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14171 f3b2605a-c512-4ea7… | Oct 23 2015 | |||
c7170a4296b4 | athomps | Added Vashishta potential | Oct 15 2015 | |||
edf114fd2583 | athomps | Changed DATA to DATE in headers | Oct 15 2015 | |||
d472396a465c | athomps | Modifed ZBL to accomodate mixing | Sep 23 2015 | |||
0b5f034699bf | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13752 f3b2605a-c512-4ea7… | Jul 28 2015 | |||
66a82e377246 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13751 f3b2605a-c512-4ea7… | Jul 28 2015 | |||
303d9b9f54bb | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13706 f3b2605a-c512-4ea7… | Jul 24 2015 | |||
5b9dbb2d686a | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13692 f3b2605a-c512-4ea7… | Jul 23 2015 | |||
eb6c99bf1910 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13554 f3b2605a-c512-4ea7… | Jul 8 2015 | |||
a222aa29d938 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13553 f3b2605a-c512-4ea7… | Jul 8 2015 | |||
d4ff848ea8e8 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13552 f3b2605a-c512-4ea7… | Jul 8 2015 | |||
596a3a92ae5c | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13547 f3b2605a-c512-4ea7… | Jul 8 2015 | |||
9414009de0a5 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13545 f3b2605a-c512-4ea7… | Jul 8 2015 | |||
29557ef39319 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13519 f3b2605a-c512-4ea7… | Jul 6 2015 | |||
36c6120f3db5 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13140 f3b2605a-c512-4ea7… | Feb 20 2015 | |||
8589d3752726 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13137 f3b2605a-c512-4ea7… | Feb 20 2015 | |||
e2ff85f14ca5 | athomps | Tweaked attributions | Oct 14 2014 | |||
b1fea4af6c16 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12633 f3b2605a-c512-4ea7… | Oct 10 2014 | |||
1c2823133189 | athomps | Added metadata line to each potential file | Oct 9 2014 | |||
9ad09005a677 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12617 f3b2605a-c512-4ea7… | Oct 7 2014 | |||
4bb43ca88578 | athomps | Added warning to README file | Oct 7 2014 | |||
b3e0966911ca | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12418 f3b2605a-c512-4ea7… | Sep 6 2014 | |||
0d4c0446b79f | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12181 f3b2605a-c512-4ea7… | Jul 12 2014 | |||
634881f8ceca | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11441 f3b2605a-c512-4ea7… | Feb 1 2014 | |||
bbc2b231ba53 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10943 f3b2605a-c512-4ea7… | Nov 4 2013 | |||
61f0ca1390d4 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10424 f3b2605a-c512-4ea7… | Jul 26 2013 | |||
5a0cd49c328b | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10419 f3b2605a-c512-4ea7… | Jul 26 2013 | |||
0e4a0f86095e | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10418 f3b2605a-c512-4ea7… | Jul 26 2013 | |||
b05bc24af63e | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10188 f3b2605a-c512-4ea7… | Jun 29 2013 | |||
e1b6faf8edd9 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10185 f3b2605a-c512-4ea7… | Jun 28 2013 | |||
1f4b523d6b78 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10183 f3b2605a-c512-4ea7… | Jun 28 2013 | |||
471694a7e7be | athomps | Added Strachan citation to rdx, removed Al_Al0_AlN | May 17 2013 | |||
e7f6d3b60cbc | athomps | Added ReaxFF.lg citation | May 17 2013 | |||
860009b734ec | athomps | Added citations to headers | May 14 2013 | |||
45a4e8a1a64e | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9697 f3b2605a-c512-4ea7… | Mar 21 2013 | |||
298f8732e9c5 | athomps | Updated ReaxFF ZnO citation | Jan 25 2013 | |||
e56f184f27ca | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9026 f3b2605a-c512-4ea7… | Oct 27 2012 | |||
ab5264cbdcde | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8429 f3b2605a-c512-4ea7… | Jun 29 2012 | |||
7d32a328db94 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8428 f3b2605a-c512-4ea7… | Jun 29 2012 | |||
b6303a1e837f | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8403 f3b2605a-c512-4ea7… | Jun 26 2012 | |||
8d596842eba7 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8123 f3b2605a-c512-4ea7… | May 22 2012 | |||
fac9a176b951 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7990 f3b2605a-c512-4ea7… | Mar 29 2012 | |||
fe76ba56edb9 | athomps | Remove default ReaxFF file | Mar 28 2012 | |||
df3684bc83fb | athomps | ffield.reax made identical to ffield.reax.rdx | Mar 24 2012 | |||
40b3346da56f | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7655 f3b2605a-c512-4ea7… | Feb 1 2012 | |||
5b62a1cb926a | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7452 f3b2605a-c512-4ea7… | Jan 6 2012 | |||
e62a6b19bf33 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7198 f3b2605a-c512-4ea7… | Oct 25 2011 | |||
defd9d82a63e | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6977 f3b2605a-c512-4ea7… | Sep 15 2011 | |||
971eb93e72ef | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6442 f3b2605a-c512-4ea7… | Jun 20 2011 | |||
a17c82001283 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6441 f3b2605a-c512-4ea7… | Jun 20 2011 | |||
be8b287dce4e | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6063 f3b2605a-c512-4ea7… | May 3 2011 | |||
a13a1dcb529a | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6062 f3b2605a-c512-4ea7… | May 3 2011 | |||
e0471a39632f | athomps | Added three SiC Tersoff files | Apr 26 2011 | |||
b4de29a7c333 | athomps | Added erratum for Tersoff_2 | Apr 26 2011 | |||
631d5da654e5 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5829 f3b2605a-c512-4ea7… | Mar 25 2011 | |||
1d0bef316fdf | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5697 f3b2605a-c512-4ea7… | Feb 22 2011 | |||
97773d1c15c5 | athomps | Added some new ReaxFF examples | Feb 19 2011 | |||
ef846b16c1de | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5652 f3b2605a-c512-4ea7… | Feb 15 2011 | |||
0bfbb388ddf6 | athomps | Removed extra elements | Jan 28 2011 | |||
0c25b0f19bf0 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5406 f3b2605a-c512-4ea7… | Dec 17 2010 | |||
fd6c22a70f02 | athomps | Set unused parameters to zero | Nov 13 2010 | |||
f9c3f5b405a5 | athomps | Added potential gradient columns | Nov 6 2010 | |||
9225c4a45dff | athomps | Turned on kc2 | Nov 3 2010 | |||
a2dba93f2c95 | athomps | Modified pair_styles reax and reax/c | Oct 26 2010 |
c4science · Help