History Graph
History Graph
Commit | Author | Details | Committed | |||
---|---|---|---|---|---|---|
96259ea2d2bd | Oliver Henrich | Added source code and documentation for USER-CGDNA | Jan 13 2017 | |||
d06688bb9170 | Tim Mattox | USER-DPD: fix a typo in the DPD-H example input; update reference output. | Jan 10 2017 | |||
c301d70333a9 | Tim Mattox | USER-DPD: update example input and output (see commits 3faa57 and eff7238) | Dec 22 2016 | |||
ba96fcc15a3f | Tim Mattox | USER-DPD: update reference output to reflect changes from commit eff7238 | Dec 22 2016 | |||
647c6f00ce2b | Axel Kohlmeyer | Merge branch 'grem-feature' of https://github.com/dstelter92/lammps into… | Nov 22 2016 | |||
237307eda238 | dstelter92 | small typo and changes | Nov 22 2016 | |||
d58dd4f15989 | dstelter92 | bugfix when parsing mpirun | Nov 22 2016 | |||
ae70f1090f18 | dstelter92 | added readme for grem examples | Nov 22 2016 | |||
ff0441ac164e | sjplimp/GitHub | Merge pull request #286 from akohlmey/small-fixes-and-updates | Nov 22 2016 | |||
dab232c542c1 | dstelter92 | modified temper_grem name to fit conventions, re-ran example to match | Nov 21 2016 | |||
2862c2081501 | Axel Kohlmeyer | Merge branch 'master' into grem-feature | Nov 18 2016 | |||
78e018829fd2 | Axel Kohlmeyer | Merge branch 'grem-feature' of https://github.com/dstelter92/lammps into grem… | Nov 18 2016 | |||
635f3ce128ec | Axel Kohlmeyer | synchronize USER-SMD examples with code | Nov 18 2016 | |||
2a026c9ad8ea | dstelter92 | revised temper_grem example, better file management | Nov 17 2016 | |||
4a3091f844ef | dstelter92 | modified temper_grem example with more exchanges | Nov 17 2016 | |||
74c0e4dd5c10 | sjplimp/GitHub | Merge pull request #278 from akohlmey/pair-agni | Nov 17 2016 | |||
4e62e58d291d | Axel Kohlmeyer/GitHub | Merge pull request #47 from dstelter92/grem-feature | Nov 17 2016 | |||
5ac2d9532ed6 | dstelter92 | Re-run example with debug off | Nov 17 2016 | |||
19ac9d295995 | dstelter92 | turned off dev mode by default in temper_grem | Nov 17 2016 | |||
9f313aac75f9 | dstelter92 | shorter example | Nov 17 2016 | |||
0102c5dadc3b | dstelter92 | file cleanup | Nov 17 2016 | |||
07e46b797a29 | dstelter92 | added internal tempering in grem with example | Nov 17 2016 | |||
2e7fd513d4f9 | Axel Kohlmeyer | provide fix grem example input for nvt and npt | Nov 16 2016 | |||
82364d10e335 | Axel Kohlmeyer | Merge branch 'grem-feature' of https://github.com/dstelter92/lammps into grem… | Nov 16 2016 | |||
683f514fac6a | Axel Kohlmeyer | simplify multi-replica run by passing per-replica parameters as variables on… | Nov 16 2016 | |||
1c68e42ecc02 | Axel Kohlmeyer | fix_modify is not longer needed | Nov 14 2016 | |||
5f94b318062b | Axel Kohlmeyer | add multi-replica example for gREM | Nov 14 2016 | |||
14c7cf419733 | Axel Kohlmeyer | retrieve target temperature and pressure from fix npt. add sanity checks. | Nov 14 2016 | |||
26870f223d66 | Axel Kohlmeyer | add example for gREM | Nov 14 2016 | |||
b9770766a854 | Axel Kohlmeyer | add adatom and vacancy examples for AGNI pair style | Nov 12 2016 | |||
8e0fd8869724 | Axel Kohlmeyer | add example demonstrating the use of fix addtorque | Nov 11 2016 | |||
9789f047d78e | Tim Mattox | USER-DPD: update the USER/dpd examples and their reference outputs | Oct 7 2016 | |||
e27ed6c94a2e | Tim Mattox | USER-DPD: Added support to use VV integrator with USER-DPD if desired. Includes… | Oct 7 2016 | |||
fd16118cbb22 | A Bartok-Partay | removed dump_modify command | Oct 6 2016 | |||
b27179bbef55 | Axel Kohlmeyer | restore bugfixes and updates that were lost. flag time dependet. correct use of… | Sep 21 2016 | |||
b9b044e180df | Steve Plimpton | new fix ti/spring command, remove fix ti/rs | Sep 20 2016 | |||
c80dad002883 | Steve Plimpton | new fix flow/gauss command | Aug 28 2016 | |||
2a6561e52af0 | Axel Kohlmeyer | add run 0 to USER-TALLY examples to enforce shake constraints on step 0 | Aug 22 2016 | |||
cec2f2518f68 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15225 f3b2605a-c512-4ea7… | Jun 28 2016 | |||
f3d5260813c9 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15145 f3b2605a-c512-4ea7… | Jun 7 2016 | |||
9c5655db7c48 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15130 f3b2605a-c512-4ea7… | Jun 7 2016 | |||
87e06310cb52 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15051 f3b2605a-c512-4ea7… | May 12 2016 | |||
62b95b6b34f4 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15050 f3b2605a-c512-4ea7… | May 12 2016 | |||
b0eea8950347 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15034 f3b2605a-c512-4ea7… | May 11 2016 | |||
7512821dd62a | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14628 f3b2605a-c512-4ea7… | Feb 15 2016 | |||
507bde5b5a92 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14627 f3b2605a-c512-4ea7… | Feb 15 2016 | |||
ed9e16202518 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14626 f3b2605a-c512-4ea7… | Feb 15 2016 | |||
c1aebdd391f3 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14544 f3b2605a-c512-4ea7… | Feb 3 2016 | |||
7e67afad7baa | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14511 f3b2605a-c512-4ea7… | Jan 28 2016 | |||
d42ebe4e5ea8 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14510 f3b2605a-c512-4ea7… | Jan 28 2016 | |||
67d5513df13b | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14483 f3b2605a-c512-4ea7… | Jan 23 2016 | |||
eb063200bf1a | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14411 f3b2605a-c512-4ea7… | Jan 11 2016 | |||
e86cfe431a28 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14410 f3b2605a-c512-4ea7… | Jan 11 2016 | |||
31f22919abe6 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14369 f3b2605a-c512-4ea7… | Dec 15 2015 | |||
9f38620e1356 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14368 f3b2605a-c512-4ea7… | Dec 15 2015 | |||
2cf6305dc1c7 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14351 f3b2605a-c512-4ea7… | Dec 10 2015 | |||
336aa4093e41 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14181 f3b2605a-c512-4ea7… | Oct 23 2015 | |||
f8d13ac85323 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14174 f3b2605a-c512-4ea7… | Oct 23 2015 | |||
ddfb996d8e3f | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14127 f3b2605a-c512-4ea7… | Oct 21 2015 | |||
c9188c00959e | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13956 f3b2605a-c512-4ea7… | Aug 29 2015 | |||
7e1de6da045e | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13834 f3b2605a-c512-4ea7… | Aug 4 2015 | |||
9ed741e90404 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13738 f3b2605a-c512-4ea7… | Jul 27 2015 | |||
3dfb44659028 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13729 f3b2605a-c512-4ea7… | Jul 27 2015 | |||
6864dfa2d184 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13682 f3b2605a-c512-4ea7… | Jul 22 2015 | |||
63802b7688c7 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13674 f3b2605a-c512-4ea7… | Jul 22 2015 | |||
c3fd41010d41 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13464 f3b2605a-c512-4ea7… | May 15 2015 | |||
cb912c19546c | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13150 f3b2605a-c512-4ea7… | Feb 24 2015 | |||
6d4200ec4546 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12800 f3b2605a-c512-4ea7… | Nov 26 2014 | |||
1bfeda4e3e0f | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12799 f3b2605a-c512-4ea7… | Nov 26 2014 | |||
6f94c97e48a2 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12786 f3b2605a-c512-4ea7… | Nov 24 2014 | |||
223eea151072 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12784 f3b2605a-c512-4ea7… | Nov 24 2014 | |||
a52ad2d6dda1 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12772 f3b2605a-c512-4ea7… | Nov 24 2014 | |||
d845ef5e8f48 | jatempl | ATC version 2.0, date: Nov20 | Nov 20 2014 | |||
bf8b5e4d630a | stamoor | Fixing broken basal example | Sep 26 2014 | |||
62c95d86a8dc | stamoor | Fixing broken USER-EFF example | Sep 26 2014 | |||
bbc60e3aefaa | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12494 f3b2605a-c512-4ea7… | Sep 11 2014 | |||
7e1c6ccfac6f | stamoor | Fixing more broken USER-EFF examples | Jun 10 2014 | |||
fcb81d2b48e5 | stamoor | Fixing broken USER-EFF examples | Jun 10 2014 | |||
00db690e6437 | stamoor | Updating USER-EFF examples to use compute property/atom | Jun 10 2014 | |||
28b9fa375408 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12107 f3b2605a-c512-4ea7… | Jun 10 2014 | |||
8dad71810cf4 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12089 f3b2605a-c512-4ea7… | Jun 5 2014 | |||
f9864c81e0eb | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11983 f3b2605a-c512-4ea7… | May 13 2014 | |||
944b898d7128 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11956 f3b2605a-c512-4ea7… | May 9 2014 | |||
1f0a6ae006ad | stamoor | Fixed broken basal example | Apr 14 2014 | |||
532a4e66fb6b | stamoor | Fixed broken examples by adding NULL after stess/atom commands | Apr 14 2014 | |||
0b8bc83b4b9f | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11737 f3b2605a-c512-4ea7… | Apr 8 2014 | |||
a683e4f52d6f | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11736 f3b2605a-c512-4ea7… | Apr 8 2014 | |||
23a0a72df1cd | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11730 f3b2605a-c512-4ea7… | Apr 7 2014 | |||
fe1d916552d2 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11729 f3b2605a-c512-4ea7… | Apr 7 2014 | |||
4f41258f5d81 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11728 f3b2605a-c512-4ea7… | Apr 7 2014 | |||
ea0dc9196302 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11727 f3b2605a-c512-4ea7… | Apr 7 2014 | |||
944ffff4a9c8 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11726 f3b2605a-c512-4ea7… | Apr 7 2014 | |||
2fb6f59c9f68 | rjones | in development : not for release | Mar 24 2014 | |||
bb589062a32b | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10990 f3b2605a-c512-4ea7… | Nov 7 2013 | |||
5c9784336738 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10989 f3b2605a-c512-4ea7… | Nov 7 2013 | |||
90a2bccf8379 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10956 f3b2605a-c512-4ea7… | Nov 4 2013 | |||
ada81ca2e055 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10846 f3b2605a-c512-4ea7… | Oct 2 2013 | |||
3d6369b7f526 | jzimmer | Removing "stdout" files | Sep 12 2013 | |||
5302074b3f8e | rjones | ATC version 2.0, date: Sep1 | Sep 1 2013 | |||
07e3b8c7d7d8 | rjones | ATC version 2.0, date: Aug28 | Aug 29 2013 |
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