Commit Graph

76 Commits

Author SHA1 Message Date
4889488412 rename count_embed to numforce and move the location where numforce is set to 0 2019-11-15 19:49:30 -05:00
e0646b73e3 revised implementation of inclusion of embedding energy in PairEAM::single()
this variant is also ported to USER-OMP and OPT
2019-11-13 01:46:00 -05:00
416911aa7e more rearranging of include file order to put implementation headers first 2019-07-03 21:57:39 -04:00
fc1d8f2cbf more cleanup of include file handling. starting to work on files in packages 2019-07-02 05:15:30 -04:00
06a57dd659 use ev_unset for all pair styles 2019-03-13 17:49:16 +01:00
5daf1fe0d4 remove deprecated 'register' keyword. closes #922 2018-05-18 17:43:18 -04:00
a7a83b118d update dependencies for USER-CGSDK package. make script permissions consistent 2018-05-09 16:13:54 -04:00
e4071d7f46 replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
e9ac8ba01e cleanup embedded or trailing tabs 2018-03-16 13:21:54 -04:00
11cddd8798 explicitly include math.h 2018-01-06 19:42:40 -05:00
b63acf6843 Added the UFM files (doc/src - lib/gpu - src) 2017-10-24 11:11:10 -02:00
2c7528811d update several pair styles to be compliant with refactored respa lists data structures 2017-10-18 11:24:12 -04:00
c041727e4f remove dead code and reduce trivial compiler warnings (clang++) 2017-03-27 14:28:50 -04:00
f6a819580c pair TIP4P bug fix for cutoffs >> box size 2017-01-06 09:57:27 -07:00
f718c54430 sync with GH
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15634 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-09-23 21:04:56 +00:00
236241b100 sync with Git
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15518 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-08-27 23:09:15 +00:00
354e20f431 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-10-30 20:04:06 +00:00
9a878cdd67 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14128 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-10-21 18:29:37 +00:00
7518fae9bc git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-10-21 17:09:24 +00:00
777e82995d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12406 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-09-05 14:42:44 +00:00
bad19033d0 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11250 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-01-17 18:43:09 +00:00
b0007d45b7 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10199 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-06-29 21:27:42 +00:00
a5da3aa1ce git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9987 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-05-31 15:17:46 +00:00
872ce46443 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9951 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-05-30 16:49:16 +00:00
9803042317 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9943 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-05-30 16:38:15 +00:00
3f142bb498 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9938 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-05-30 16:27:43 +00:00
24dc52cb69 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9928 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-05-28 14:21:54 +00:00
db8eda0253 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9913 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-05-24 18:55:24 +00:00
a289ce92d7 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9701 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-03-21 17:36:09 +00:00
f611f9a58f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9589 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-03-06 17:18:26 +00:00
5404f3c1b5 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9588 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-03-06 17:17:34 +00:00
f0bb1a384f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8890 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-10-03 15:13:31 +00:00
463739fea2 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8889 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-10-03 15:07:29 +00:00
bd816621d8 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8888 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-10-03 15:06:24 +00:00
e83a480786 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8887 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-10-03 15:06:14 +00:00
2f6e38c3ba git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8808 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-09-20 16:07:58 +00:00
356d67afc8 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8798 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-09-18 23:36:03 +00:00
e83510effa git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8441 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-06-29 21:17:23 +00:00
5dbe265bbc git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8439 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-06-29 21:10:14 +00:00
4c45864217 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8298 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-06-15 00:38:38 +00:00
ef9e700545 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8226 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-06-06 22:47:51 +00:00
3fb19bcea6 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7873 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-03-01 16:48:08 +00:00
891740f4a2 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7374 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-12-16 01:37:13 +00:00
c6bbdcfbf2 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7184 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-10-24 20:28:02 +00:00
dd35394165 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7020 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-09-30 16:58:16 +00:00
4fb55e4972 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7019 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-09-30 16:58:05 +00:00
19e8c92a90 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7003 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-09-23 18:06:55 +00:00
301dad125f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6760 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-08-23 17:07:41 +00:00
147842df01 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6327 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-06-07 18:06:14 +00:00
bf1d550bfd git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6265 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-05-31 22:51:15 +00:00