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146 Commits

Author SHA1 Message Date
sjplimp 5d38cbbce9 Merge pull request #487 from akohlmey/pair_edip_multi_element 
Import multi-element compatible pair style edip as edip/multi
 2017-05-18 09:13:30 -06:00
Axel Kohlmeyer 4b1914aa1f update citations for multi-element edip potential 2017-05-18 01:07:52 -04:00
Axel Kohlmeyer 8936b99e9f add contributed SiC.edip potential file 2017-05-16 18:15:53 -04:00
Axel Kohlmeyer d9d4ef17c8 add gao-weber potentials (regular and with ZBL core) with SiC potential files 
NOTE: documentation is missing
 2017-05-15 17:44:25 -04:00
DallasTrinkle 7d9670bc6c Addition of potential, code modifications to incorporate multicomponent spline MEAM in pair_meam_spline. 
Backwards compatible with previous version of pair_meam_spline.
 2017-04-28 14:48:34 -05:00
Axel Kohlmeyer ef6070cbde remove executable permissions for potential files 2017-03-28 14:35:58 -04:00
sjplimp 4af6557568 Merge pull request #394 from jaapkroe/kolmogorov-crespi 
Added Kolmogorov-Crespi potential
 2017-03-07 09:46:08 -07:00
sjplimp 0798885bdb Merge pull request #389 from akohlmey/update-agni-potential 
update AGNI potential for Al, reference runs and output and citation
 2017-03-07 09:35:31 -07:00
Steve Plimpton efaa4c6710 new neigh_modify exclude option, other SNAP changes 2017-03-07 09:31:12 -07:00
Jaap Kroes 8a0e44db83 updated documentation and ev_tally 2017-03-01 16:13:44 +01:00
Jaap Kroes a1b40b902d Added Kolmogorov-Crespi potential 2017-02-28 14:59:13 +01:00
Axel Kohlmeyer a18b4ef4b0 update AGNI potential for Al, reference runs and output and citation 2017-02-24 15:33:13 -05:00
Steve Plimpton 1cd4c48ccc new SNAP potential for W 2017-02-21 15:49:21 -07:00
Steve Plimpton 0068ef5616 added molecule option to compute group/group command 2017-02-10 09:25:32 -07:00
Steve Plimpton f8506fee23 sync GHub with SVN 2017-01-26 14:06:43 -07:00
sjplimp 74c0e4dd5c Merge pull request #278 from akohlmey/pair-agni 
Implementation of the AGNI manybody potential
 2016-11-17 09:04:31 -07:00
Axel Kohlmeyer 6e1492a86c add potential file for pair style AGNI 2016-11-11 18:10:26 -05:00
Axel Kohlmeyer 3d3a99c082 added missing potential for tersoff/mod/c 2016-11-09 16:50:34 -05:00
Steve Plimpton f48b71f46b added examples/threebody, fix reaxc/speceies/kk 2016-11-04 10:56:04 -06:00
Axel Kohlmeyer 4337f2c240 include charmm22 and charmm36 cmap files and include date added signature 2016-09-30 07:39:12 -04:00
sjplimp 58be921a09 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15402 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-07-30 14:51:20 +00:00
sjplimp 4eb6664ba8 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15400 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-07-30 14:45:47 +00:00
sjplimp a10c992e38 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14764 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-03-22 00:05:55 +00:00
sjplimp d43c4a1bf5 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14315 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-12-09 17:22:00 +00:00
sjplimp 6f443bf17f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14314 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-12-09 17:18:22 +00:00
sjplimp 3d659aba57 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14313 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-12-09 17:16:42 +00:00
sjplimp bac5a15bfc git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14312 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-12-09 17:16:11 +00:00
sjplimp f7355d5761 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14311 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-12-09 17:11:45 +00:00
sjplimp 15c3a77823 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14310 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-12-09 17:09:56 +00:00
sjplimp c78f2449b2 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14309 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-12-09 17:05:37 +00:00
sjplimp 2a1a318ce7 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14206 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-10-23 19:36:51 +00:00
sjplimp 238c17e0c7 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14188 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-10-23 00:34:56 +00:00
sjplimp 9057c42350 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14187 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-10-23 00:30:53 +00:00
sjplimp d8c16fb28d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14171 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-10-22 22:56:04 +00:00
athomps c7170a4296 Added Vashishta potential 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14117 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2015-10-15 17:39:43 +00:00
athomps edf114fd25 Changed DATA to DATE in headers 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14116 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2015-10-15 17:36:54 +00:00
athomps d472396a46 Modifed ZBL to accomodate mixing 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14050 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2015-09-23 00:43:23 +00:00
sjplimp 0b5f034699 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13752 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-07-28 15:21:59 +00:00
sjplimp 66a82e3772 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13751 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-07-28 15:21:03 +00:00
sjplimp 303d9b9f54 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13706 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-07-24 14:16:56 +00:00
sjplimp 5b9dbb2d68 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13692 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-07-23 14:56:20 +00:00
sjplimp eb6c99bf19 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13554 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-07-08 15:31:25 +00:00
sjplimp a222aa29d9 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13553 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-07-08 15:31:07 +00:00
sjplimp d4ff848ea8 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13552 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-07-08 15:20:38 +00:00
sjplimp 596a3a92ae git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13547 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-07-08 15:00:14 +00:00
sjplimp 9414009de0 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13545 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-07-08 14:47:33 +00:00
sjplimp 29557ef393 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13519 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-07-06 14:10:25 +00:00
sjplimp 36c6120f3d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13140 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-02-19 23:59:09 +00:00
sjplimp 8589d37527 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13137 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-02-19 23:46:18 +00:00
athomps e2ff85f14c Tweaked attributions 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12636 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2014-10-14 20:48:57 +00:00