lammps/examplesmaster
lammps/examples
master
History Graph
History Graph
Commit | Author | Details | Committed | |||
---|---|---|---|---|---|---|
493873fb933d | Steve Plimpton | clean up doc src | Oct 6 2016 | |||
fd16118cbb22 | A Bartok-Partay | removed dump_modify command | Oct 6 2016 | |||
02bfa898eeb1 | Steve Plimpton | adjustments to balancing weights and factors, also XOR op for formulas, if… | Oct 5 2016 | |||
c46be7db625e | Steve Plimpton | changes to imbalance weight factors | Oct 5 2016 | |||
91edee25302a | sjplimp/GitHub | Merge pull request #186 from akohlmey/small-bugfixes | Sep 30 2016 | |||
b9d0f96a1923 | Steve Plimpton | change purge target in Makefile, also fixed one issue with Make.py | Sep 30 2016 | |||
4337f2c240d7 | Axel Kohlmeyer | include charmm22 and charmm36 cmap files and include date added signature | Sep 30 2016 | |||
446e7e736936 | Steve Plimpton | patch for allowing prd command to work with sorted atoms | Sep 29 2016 | |||
35705217f4bb | Steve Plimpton | enable multi-processor NEB replicas | Sep 27 2016 | |||
9a2f7386731e | Steve Plimpton | sync with SVN | Sep 27 2016 | |||
f9677e6d7b71 | Steve Plimpton | released version of weighted balancing | Sep 27 2016 | |||
47b52ed2ddf4 | Axel Kohlmeyer | Merge branch 'integration' into balance2 | Sep 26 2016 | |||
b97b9dd66188 | Steve Plimpton | new fix cmap command | Sep 26 2016 | |||
08f0bf90253e | Steve Plimpton | new verion of balance weighting | Sep 23 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 | |||
a69e059be324 | sjplimp/GitHub | Merge pull request #27 from akohlmey/small-bugfixes | Sep 14 2016 | |||
fe2fca4e9b3b | Steve Plimpton | clean-up of example files | Sep 13 2016 | |||
944289b018a7 | Steve Plimpton | final version of pair vashishta/table | Sep 13 2016 | |||
18cacb8e1dab | Axel Kohlmeyer | ignore *.mod generated by fortran compilers | Sep 13 2016 | |||
7de51430504e | Axel Kohlmeyer | update vashishta pair style example | Sep 8 2016 | |||
43b05a60c70e | Steve Plimpton | created vashishta/table variant | Sep 7 2016 | |||
ebce76c7f063 | Axel Kohlmeyer | updated and slightly refactored tabulation for vashishta pair style | Aug 28 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 | |||
3349f7e14366 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15466 f3b2605a-c512-4ea7… | Aug 10 2016 | |||
1780c86b8601 | athomps | Fixed error in ave/time version | Aug 5 2016 | |||
3fe162a42d13 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15437 f3b2605a-c512-4ea7… | Aug 5 2016 | |||
ee86bd2463f0 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15399 f3b2605a-c512-4ea7… | Jul 30 2016 | |||
b3aeb43a93c4 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15300 f3b2605a-c512-4ea7… | Jul 13 2016 | |||
cec2f2518f68 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15225 f3b2605a-c512-4ea7… | Jun 28 2016 | |||
ab7e896a76db | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15150 f3b2605a-c512-4ea7… | Jun 7 2016 | |||
0129ff9696c7 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15149 f3b2605a-c512-4ea7… | Jun 7 2016 | |||
b5abf9342bc2 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15148 f3b2605a-c512-4ea7… | Jun 7 2016 | |||
f3d5260813c9 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15145 f3b2605a-c512-4ea7… | Jun 7 2016 | |||
a5fef35ebd99 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15144 f3b2605a-c512-4ea7… | Jun 7 2016 | |||
b107958e8097 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15143 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 | |||
5c19a0d788a7 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15094 f3b2605a-c512-4ea7… | Jun 1 2016 | |||
4c107f450cc9 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15085 f3b2605a-c512-4ea7… | May 31 2016 | |||
ac14f5bc36bd | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15084 f3b2605a-c512-4ea7… | May 31 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 | |||
1463cb259841 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15020 f3b2605a-c512-4ea7… | May 11 2016 | |||
00f3ccf3b017 | athomps | Added Einstein version of Green-Kubo | Apr 19 2016 | |||
cf26690feb5c | athomps | Corrected formula for case lx != ly | Apr 12 2016 | |||
20f13bf13ddf | athomps | Added a script to calculate elastic compliance tensor | Apr 12 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 | |||
2d43f007d11e | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14617 f3b2605a-c512-4ea7… | Feb 15 2016 | |||
9ac8547feba2 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14616 f3b2605a-c512-4ea7… | Feb 15 2016 | |||
e7eced3711eb | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14615 f3b2605a-c512-4ea7… | Feb 15 2016 | |||
9fc1ec8d309b | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14614 f3b2605a-c512-4ea7… | Feb 15 2016 | |||
2ed186132013 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14613 f3b2605a-c512-4ea7… | Feb 15 2016 | |||
be035371f95a | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14612 f3b2605a-c512-4ea7… | Feb 15 2016 | |||
701b4a00a1af | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14611 f3b2605a-c512-4ea7… | Feb 15 2016 | |||
bee7ffaee535 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14610 f3b2605a-c512-4ea7… | Feb 15 2016 | |||
b1922ae7ca2a | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14609 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 | |||
4da36d1c01a0 | athomps | Added data output example | Jan 22 2016 | |||
66a048bbb996 | athomps | Added faces as local compute | Jan 21 2016 | |||
81d55a790498 | athomps | Changed behavior for non-periodic systems | Jan 20 2016 | |||
7c810d619885 | athomps | Added 2d example | Jan 19 2016 | |||
fb0230aed29b | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14451 f3b2605a-c512-4ea7… | Jan 15 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 | |||
29b4d60141dc | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14398 f3b2605a-c512-4ea7… | Dec 23 2015 | |||
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 | |||
c7170a4296b4 | athomps | Added Vashishta potential | Oct 15 2015 | |||
da1e4e4f258c | athomps | Added elastic constant example at finite temperature | Oct 5 2015 | |||
233eaea97d7c | athomps | Added elastic constant example at finite temperature | Oct 5 2015 | |||
ae2a7e2ebdba | athomps | Made output prettier | Oct 5 2015 | |||
a1149efbfa3b | athomps | Added elastic constant example at finite temperature | Oct 5 2015 | |||
8a024fa64b01 | athomps | Added elastic constant example at finite temperature | Oct 5 2015 | |||
db4d01260bda | athomps | Added elastic constant example at finite temperature | Oct 5 2015 | |||
46545bb3083b | athomps | Added elastic constant example at finite temperature | Oct 5 2015 | |||
f343a9f4a077 | athomps | Added elastic constant example at finite temperature | Oct 5 2015 | |||
663551ee9f0f | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14073 f3b2605a-c512-4ea7… | Sep 25 2015 | |||
d2a2124b5678 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14072 f3b2605a-c512-4ea7… | Sep 25 2015 | |||
70128bfb92ac | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14054 f3b2605a-c512-4ea7… | Sep 24 2015 | |||
06bb2fb761f6 | athomps | Modifed ZBL to accomodate mixing | Sep 23 2015 | |||
40382cbda967 | athomps | Added atom jiggle to initial structure | Sep 5 2015 | |||
7b30c20b6658 | athomps | Addings xy, xz, and yz strains for axial strain | Sep 5 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 | |||
96e3b7be5585 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13697 f3b2605a-c512-4ea7… | Jul 23 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 |
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