sjplimp
973bef4d45
Merge pull request #332 from akohlmey/coord-atom-orientorder-atom-enhancements
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Coord atom orientorder atom enhancements
2017-01-17 09:11:45 -07:00
sjplimp
1b9e50c8cb
Merge pull request #331 from timattox/USER-DPD_fix_example_typo
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USER-DPD: fix a typo in the DPD-H example input; update reference output.
2017-01-17 09:08:14 -07:00
Steve Plimpton
5cd856c97f
fix spring doc page update
2017-01-17 09:02:56 -07:00
Axel Kohlmeyer
0a2b78acb8
rather than adjusting the communication cutoff, we just print out the minimum value needed and error out
...
i suspect, this communication cutoff adjustment was included into the code before it was possible to separately set it via comm_modify. stopping with an error message printing the needed/current value is cleaner, in keeping with other modules in LAMMPS and much less problematic.
2017-01-16 15:47:02 -05:00
Axel Kohlmeyer
8360e70f4e
update USER-CGDNA examples to follow LAMMPS style
2017-01-13 18:56:45 -05:00
Oliver Henrich
96259ea2d2
Added source code and documentation for USER-CGDNA
2017-01-13 13:36:54 +00:00
Axel Kohlmeyer
622d926849
adapt example inputs for TAD and PRD to the change in compute coord/atom
2017-01-10 13:41:35 -05:00
Tim Mattox
d06688bb91
USER-DPD: fix a typo in the DPD-H example input; update reference output.
2017-01-10 12:11:20 -05:00
Steve Plimpton
c31f1e9f22
add fix mscg command, example, lib
2017-01-09 13:36:40 -07:00
Tim Mattox
c301d70333
USER-DPD: update example input and output (see commits 3faa57 and eff7238
)
2016-12-22 17:32:41 -05:00
Tim Mattox
ba96fcc15a
USER-DPD: update reference output to reflect changes from commit eff7238
2016-12-22 16:21:05 -05:00
Axel Kohlmeyer
647c6f00ce
Merge branch 'grem-feature' of https://github.com/dstelter92/lammps into collected-updates-and-bugfixes
2016-11-22 14:51:19 -05:00
dstelter92
237307eda2
small typo and changes
2016-11-22 12:16:00 -05:00
dstelter92
d58dd4f159
bugfix when parsing mpirun
2016-11-22 12:13:20 -05:00
dstelter92
ae70f1090f
added readme for grem examples
2016-11-22 12:05:14 -05:00
sjplimp
ff0441ac16
Merge pull request #286 from akohlmey/small-fixes-and-updates
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Collected small fixes and updates
2016-11-22 08:49:46 -07:00
dstelter92
dab232c542
modified temper_grem name to fit conventions, re-ran example to match
2016-11-21 12:02:17 -05:00
Axel Kohlmeyer
2862c20815
Merge branch 'master' into grem-feature
2016-11-18 14:51:46 -05:00
Axel Kohlmeyer
78e018829f
Merge branch 'grem-feature' of https://github.com/dstelter92/lammps into grem-feature
2016-11-18 14:48:47 -05:00
Axel Kohlmeyer
635f3ce128
synchronize USER-SMD examples with code
2016-11-18 08:09:24 -05:00
dstelter92
2a026c9ad8
revised temper_grem example, better file management
2016-11-17 12:53:25 -05:00
dstelter92
4a3091f844
modified temper_grem example with more exchanges
2016-11-17 11:24:29 -05:00
sjplimp
74c0e4dd5c
Merge pull request #278 from akohlmey/pair-agni
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Implementation of the AGNI manybody potential
2016-11-17 09:04:31 -07:00
sjplimp
073e8a0524
Merge pull request #276 from akohlmey/doc-updates
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Small bugfixes and updates
2016-11-17 09:02:27 -07:00
sjplimp
2535e44991
Merge pull request #271 from akohlmey/tersoff-modc
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pair style tersoff/mod/c
2016-11-17 09:00:52 -07:00
Axel Kohlmeyer
4e62e58d29
Merge pull request #47 from dstelter92/grem-feature
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added internal tempering in grem with example
2016-11-17 10:04:43 -05:00
dstelter92
5ac2d9532e
Re-run example with debug off
2016-11-17 09:43:44 -05:00
dstelter92
19ac9d2959
turned off dev mode by default in temper_grem
2016-11-17 09:31:07 -05:00
dstelter92
9f313aac75
shorter example
2016-11-16 20:43:41 -05:00
dstelter92
0102c5dadc
file cleanup
2016-11-16 20:38:53 -05:00
dstelter92
07e46b797a
added internal tempering in grem with example
2016-11-16 20:27:14 -05:00
Axel Kohlmeyer
2e7fd513d4
provide fix grem example input for nvt and npt
2016-11-16 16:42:01 -05:00
Axel Kohlmeyer
82364d10e3
Merge branch 'grem-feature' of https://github.com/dstelter92/lammps into grem-feature
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Resolved merge conflicts and adapted logic to most recent changes in feature branch
Closes #46
2016-11-16 16:11:53 -05:00
Axel Kohlmeyer
683f514fac
simplify multi-replica run by passing per-replica parameters as variables on the command line
2016-11-16 14:22:20 -05:00
Axel Kohlmeyer
1c68e42ecc
fix_modify is not longer needed
2016-11-14 13:43:28 -05:00
Axel Kohlmeyer
5f94b31806
add multi-replica example for gREM
2016-11-14 10:12:48 -05:00
Axel Kohlmeyer
14c7cf4197
retrieve target temperature and pressure from fix npt. add sanity checks.
2016-11-13 23:18:59 -05:00
Axel Kohlmeyer
26870f223d
add example for gREM
2016-11-13 23:18:14 -05:00
Axel Kohlmeyer
b9770766a8
add adatom and vacancy examples for AGNI pair style
2016-11-11 18:19:29 -05:00
Axel Kohlmeyer
8e0fd88697
add example demonstrating the use of fix addtorque
2016-11-11 10:52:50 -05:00
Steve Plimpton
9806da69f3
Stan bug fixes for fix reaxc/bonds/kk
2016-11-09 15:47:50 -07:00
Axel Kohlmeyer
71ee2ecaa1
integrate pair style tersoff/mod/c contributed by Ganga P Purja Pun (GMU)
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This includes docs, added testing and inclusion of USER-OMP support.
2016-11-09 14:52:39 -05:00
arielzn
9de1a2a08f
added input using born/coul/dsf/cs to examples/coreshell
2016-11-08 18:27:44 +01:00
Steve Plimpton
f48b71f46b
added examples/threebody, fix reaxc/speceies/kk
2016-11-04 10:56:04 -06:00
Steve Plimpton
d9891abdf4
new library functions
2016-10-27 09:34:04 -06:00
Steve Plimpton
2106dce2b3
new fix halt command, other sundry small bug fixes
2016-10-18 13:11:40 -06:00
sjplimp
6f1162927a
Merge pull request #207 from timattox/USER-DPD_new_VV_for_DPD
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USER-DPD: add support for using VV with DPD
2016-10-11 13:39:25 -06:00
Steve Plimpton
04f5eadcf1
added LAST option to dump_modify thresh, more restart info printed out to screen
2016-10-11 12:39:52 -06:00
Tim Mattox
9789f047d7
USER-DPD: update the USER/dpd examples and their reference outputs
2016-10-07 15:55:35 -04:00
Tim Mattox
e27ed6c94a
USER-DPD: Added support to use VV integrator with USER-DPD if desired.
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Includes documentation and examples.
NOTE: VV requires very small timesteps under isoenergetic conditions.
Consider using fix_shardlow instead, since this VV support is
primarily for comparison purposes.
2016-10-07 15:03:30 -04:00
sjplimp
54fc194e5b
Merge pull request #199 from akohlmey/small-changes
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Collected small changes and bugfixes
2016-10-06 15:49:24 -06:00
Steve Plimpton
b3d2fb91bb
new fix wall/gran/region command, REBO bug fix, new example log files
2016-10-06 15:47:41 -06:00
Steve Plimpton
493873fb93
clean up doc src
2016-10-06 13:00:46 -06:00
A Bartok-Partay
fd16118cbb
removed dump_modify command
2016-10-06 12:02:41 +01:00
Steve Plimpton
02bfa898ee
adjustments to balancing weights and factors, also XOR op for formulas, if, dump_modify thresh
2016-10-05 15:46:20 -06:00
Steve Plimpton
c46be7db62
changes to imbalance weight factors
2016-10-05 10:33:39 -06:00
sjplimp
91edee2530
Merge pull request #186 from akohlmey/small-bugfixes
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Collected small bugfixes and enhancements
2016-09-30 09:20:25 -06:00
Steve Plimpton
b9d0f96a19
change purge target in Makefile, also fixed one issue with Make.py
2016-09-30 09:17:55 -06:00
Axel Kohlmeyer
4337f2c240
include charmm22 and charmm36 cmap files and include date added signature
2016-09-30 07:39:12 -04:00
Steve Plimpton
446e7e7369
patch for allowing prd command to work with sorted atoms
2016-09-28 16:33:30 -06:00
Steve Plimpton
35705217f4
enable multi-processor NEB replicas
2016-09-27 15:34:08 -06:00
Steve Plimpton
9a2f738673
sync with SVN
2016-09-27 15:32:57 -06:00
Steve Plimpton
f9677e6d7b
released version of weighted balancing
2016-09-27 10:52:27 -06:00
Axel Kohlmeyer
47b52ed2dd
Merge branch 'integration' into balance2
2016-09-26 15:19:48 -04:00
Steve Plimpton
b97b9dd661
new fix cmap command
2016-09-26 08:40:53 -06:00
Steve Plimpton
08f0bf9025
new verion of balance weighting
2016-09-23 14:37:53 -06:00
Axel Kohlmeyer
b27179bbef
restore bugfixes and updates that were lost. flag time dependet. correct use of citeme.
2016-09-21 07:27:37 -04:00
Steve Plimpton
b9b044e180
new fix ti/spring command, remove fix ti/rs
2016-09-20 10:44:12 -06:00
sjplimp
a69e059be3
Merge pull request #27 from akohlmey/small-bugfixes
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Collected small changes and bugfixes
2016-09-13 17:11:23 -06:00
Steve Plimpton
fe2fca4e9b
clean-up of example files
2016-09-13 14:58:02 -06:00
Steve Plimpton
944289b018
final version of pair vashishta/table
2016-09-13 14:45:53 -06:00
Axel Kohlmeyer
18cacb8e1d
ignore *.mod generated by fortran compilers
2016-09-13 09:36:19 -04:00
Axel Kohlmeyer
7de5143050
update vashishta pair style example
2016-09-08 17:21:14 -04:00
Steve Plimpton
43b05a60c7
created vashishta/table variant
2016-09-07 11:56:38 -06:00
Axel Kohlmeyer
ebce76c7f0
updated and slightly refactored tabulation for vashishta pair style
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- tables are now dimensioned by nelements instead of ntypes
- tables are only created if used
- correctly identify max size of table
- add test for illegal cutoff for tabulation
- allocated memory for tables is accounted for
- add example input using 16-bit tables
2016-08-27 23:05:17 -04:00
Steve Plimpton
c80dad0028
new fix flow/gauss command
2016-08-27 16:25:01 -06:00
Axel Kohlmeyer
2a6561e52a
add run 0 to USER-TALLY examples to enforce shake constraints on step 0
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(cherry picked from commit 433741564d
)
2016-08-22 14:32:47 -04:00
sjplimp
3349f7e143
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15466 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-08-09 23:25:06 +00:00
athomps
1780c86b86
Fixed error in ave/time version
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15449 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-08-05 17:53:52 +00:00
sjplimp
3fe162a42d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15437 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-08-05 15:11:09 +00:00
sjplimp
ee86bd2463
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15399 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-07-30 14:45:26 +00:00
sjplimp
b3aeb43a93
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15300 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-07-13 21:35:51 +00:00
sjplimp
cec2f2518f
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15225 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-28 13:23:54 +00:00
sjplimp
ab7e896a76
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15150 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-07 18:18:53 +00:00
sjplimp
0129ff9696
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15149 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-07 18:17:05 +00:00
sjplimp
b5abf9342b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15148 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-07 18:16:44 +00:00
sjplimp
f3d5260813
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15145 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-07 18:00:54 +00:00
sjplimp
a5fef35ebd
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15144 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-07 18:00:49 +00:00
sjplimp
b107958e80
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15143 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-07 17:57:47 +00:00
sjplimp
9c5655db7c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15130 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-07 15:51:43 +00:00
sjplimp
5c19a0d788
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15094 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-01 15:07:48 +00:00
sjplimp
4c107f450c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15085 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-31 16:39:57 +00:00
sjplimp
ac14f5bc36
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15084 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-31 16:38:36 +00:00
sjplimp
87e06310cb
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15051 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-12 16:29:09 +00:00
sjplimp
62b95b6b34
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15050 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-12 16:28:22 +00:00
sjplimp
b0eea89503
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15034 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-11 20:38:08 +00:00
sjplimp
1463cb2598
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15020 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-10 22:39:37 +00:00
athomps
00f3ccf3b0
Added Einstein version of Green-Kubo
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14846 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-04-18 23:59:16 +00:00
athomps
cf26690feb
Corrected formula for case lx != ly
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14820 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-04-12 14:56:22 +00:00
athomps
20f13bf13d
Added a script to calculate elastic compliance tensor
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14819 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-04-12 01:28:58 +00:00
sjplimp
7512821dd6
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14628 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-02-15 21:20:17 +00:00
sjplimp
507bde5b5a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14627 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-02-15 21:19:55 +00:00
sjplimp
ed9e162025
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14626 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-02-15 21:18:29 +00:00
sjplimp
2d43f007d1
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14617 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-02-15 18:32:58 +00:00
sjplimp
9ac8547feb
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14616 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-02-15 18:32:42 +00:00
sjplimp
e7eced3711
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14615 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-02-15 18:16:07 +00:00
sjplimp
9fc1ec8d30
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14614 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-02-15 18:15:02 +00:00
sjplimp
2ed1861320
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14613 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-02-15 18:14:03 +00:00
sjplimp
be035371f9
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14612 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-02-15 18:12:57 +00:00
sjplimp
701b4a00a1
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14611 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-02-15 18:11:41 +00:00
sjplimp
bee7ffaee5
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14610 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-02-15 18:06:11 +00:00
sjplimp
b1922ae7ca
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14609 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-02-15 18:04:59 +00:00
sjplimp
c1aebdd391
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14544 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-02-03 21:39:32 +00:00
sjplimp
7e67afad7b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14511 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-28 21:19:43 +00:00
sjplimp
d42ebe4e5e
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14510 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-28 21:17:32 +00:00
sjplimp
67d5513df1
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14483 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-23 00:59:04 +00:00
athomps
4da36d1c01
Added data output example
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14468 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-22 02:49:52 +00:00
athomps
66a048bbb9
Added faces as local compute
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14464 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-21 01:59:48 +00:00
athomps
81d55a7904
Changed behavior for non-periodic systems
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14460 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-20 00:01:34 +00:00
athomps
7c810d6198
Added 2d example
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14458 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-19 22:26:48 +00:00
sjplimp
fb0230aed2
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14451 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-15 16:05:33 +00:00
sjplimp
eb063200bf
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14411 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-11 17:59:15 +00:00
sjplimp
e86cfe431a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14410 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-11 17:58:37 +00:00
sjplimp
29b4d60141
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14398 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-12-23 17:04:56 +00:00
sjplimp
31f22919ab
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14369 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-12-15 16:03:53 +00:00
sjplimp
9f38620e13
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14368 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-12-15 16:01:54 +00:00
sjplimp
2cf6305dc1
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14351 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-12-10 17:40:52 +00:00
sjplimp
336aa4093e
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14181 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-23 00:06:46 +00:00
sjplimp
f8d13ac853
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14174 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-22 23:36:53 +00:00
sjplimp
ddfb996d8e
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14127 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-21 18:16:47 +00:00
athomps
c7170a4296
Added Vashishta potential
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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
da1e4e4f25
Added elastic constant example at finite temperature
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14105 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-05 21:02:38 +00:00
athomps
233eaea97d
Added elastic constant example at finite temperature
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14104 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-05 18:54:37 +00:00
athomps
ae2a7e2ebd
Made output prettier
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14103 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-05 18:54:02 +00:00
athomps
a1149efbfa
Added elastic constant example at finite temperature
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14102 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-05 18:52:13 +00:00
athomps
8a024fa64b
Added elastic constant example at finite temperature
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14101 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-05 18:49:23 +00:00
athomps
db4d01260b
Added elastic constant example at finite temperature
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14100 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-05 18:41:56 +00:00
athomps
46545bb308
Added elastic constant example at finite temperature
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14099 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-05 18:30:11 +00:00
athomps
f343a9f4a0
Added elastic constant example at finite temperature
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14097 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-05 18:22:14 +00:00
sjplimp
663551ee9f
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14073 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-09-24 22:48:45 +00:00
sjplimp
d2a2124b56
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14072 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-09-24 22:48:28 +00:00
sjplimp
70128bfb92
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14054 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-09-24 20:01:39 +00:00
athomps
06bb2fb761
Modifed ZBL to accomodate mixing
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14049 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-09-23 00:31:07 +00:00
athomps
40382cbda9
Added atom jiggle to initial structure
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14000 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-09-04 23:23:47 +00:00
athomps
7b30c20b66
Addings xy, xz, and yz strains for axial strain
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13999 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-09-04 23:17:02 +00:00
sjplimp
c9188c0095
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13956 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-08-28 23:50:01 +00:00
sjplimp
7e1de6da04
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13834 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-08-04 20:57:54 +00:00
sjplimp
9ed741e904
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13738 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-07-27 18:12:18 +00:00
sjplimp
3dfb446590
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13729 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-07-27 14:57:19 +00:00
sjplimp
96e3b7be55
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13697 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-07-23 15:51:18 +00:00