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Diffusion lammps (lammm-devel) Graph

lammps/examples
lammm-devel

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CommitAuthorDetailsCommitted
237307eda238dstelter92
small typo and changes 
Nov 22 2016
d58dd4f15989dstelter92
bugfix when parsing mpirun 
Nov 22 2016
ae70f1090f18dstelter92
added readme for grem examples 
Nov 22 2016
ff0441ac164esjplimp/GitHub
Merge pull request #286 from akohlmey/small-fixes-and-updates 
Nov 22 2016
dab232c542c1dstelter92
modified temper_grem name to fit conventions, re-ran example to match 
Nov 21 2016
2862c2081501Axel Kohlmeyer
Merge branch 'master' into grem-feature 
Nov 18 2016
78e018829fd2Axel Kohlmeyer
Merge branch 'grem-feature' of https://github.com/dstelter92/lammps into grem… 
Nov 18 2016
635f3ce128ecAxel Kohlmeyer
synchronize USER-SMD examples with code 
Nov 18 2016
2a026c9ad8eadstelter92
revised temper_grem example, better file management 
Nov 17 2016
4a3091f844efdstelter92
modified temper_grem example with more exchanges 
Nov 17 2016
74c0e4dd5c10sjplimp/GitHub
Merge pull request #278 from akohlmey/pair-agni 
Nov 17 2016
073e8a052485sjplimp/GitHub
Merge pull request #276 from akohlmey/doc-updates 
Nov 17 2016
2535e44991a2sjplimp/GitHub
Merge pull request #271 from akohlmey/tersoff-modc 
Nov 17 2016
4e62e58d291dAxel Kohlmeyer/GitHub
Merge pull request #47 from dstelter92/grem-feature 
Nov 17 2016
5ac2d9532ed6dstelter92
Re-run example with debug off 
Nov 17 2016
19ac9d295995dstelter92
turned off dev mode by default in temper_grem 
Nov 17 2016
9f313aac75f9dstelter92
shorter example 
Nov 17 2016
0102c5dadc3bdstelter92
file cleanup 
Nov 17 2016
07e46b797a29dstelter92
added internal tempering in grem with example 
Nov 17 2016
2e7fd513d4f9Axel Kohlmeyer
provide fix grem example input for nvt and npt 
Nov 16 2016
82364d10e335Axel Kohlmeyer
Merge branch 'grem-feature' of https://github.com/dstelter92/lammps into grem… 
Nov 16 2016
683f514fac6aAxel Kohlmeyer
simplify multi-replica run by passing per-replica parameters as variables on… 
Nov 16 2016
1c68e42ecc02Axel Kohlmeyer
fix_modify is not longer needed 
Nov 14 2016
5f94b318062bAxel Kohlmeyer
add multi-replica example for gREM 
Nov 14 2016
14c7cf419733Axel Kohlmeyer
retrieve target temperature and pressure from fix npt. add sanity checks. 
Nov 14 2016
26870f223d66Axel Kohlmeyer
add example for gREM 
Nov 14 2016
b9770766a854Axel Kohlmeyer
add adatom and vacancy examples for AGNI pair style 
Nov 12 2016
8e0fd8869724Axel Kohlmeyer
add example demonstrating the use of fix addtorque 
Nov 11 2016
9806da69f3f9Steve Plimpton
Stan bug fixes for fix reaxc/bonds/kk 
Nov 9 2016
71ee2ecaa1e0Axel Kohlmeyer
integrate pair style tersoff/mod/c contributed by Ganga P Purja Pun (GMU) 
Nov 9 2016
9de1a2a08fabarielzn
added input using born/coul/dsf/cs to examples/coreshell 
Nov 8 2016
f48b71f46ba6Steve Plimpton
added examples/threebody, fix reaxc/speceies/kk 
Nov 4 2016
d9891abdf4d5Steve Plimpton
new library functions 
Oct 27 2016
2106dce2b382Steve Plimpton
new fix halt command, other sundry small bug fixes 
Oct 18 2016
6f1162927a78sjplimp/GitHub
Merge pull request #207 from timattox/USER-DPD_new_VV_for_DPD 
Oct 11 2016
04f5eadcf14aSteve Plimpton
added LAST option to dump_modify thresh, more restart info printed out to screen 
Oct 11 2016
9789f047d78eTim Mattox
USER-DPD: update the USER/dpd examples and their reference outputs 
Oct 7 2016
e27ed6c94a2eTim Mattox
USER-DPD: Added support to use VV integrator with USER-DPD if desired. Includes… 
Oct 7 2016
54fc194e5b33sjplimp/GitHub
Merge pull request #199 from akohlmey/small-changes 
Oct 6 2016
b3d2fb91bb6cSteve Plimpton
new fix wall/gran/region command, REBO bug fix, new example log files 
Oct 6 2016
493873fb933dSteve Plimpton
clean up doc src 
Oct 6 2016
fd16118cbb22A Bartok-Partay
removed dump_modify command 
Oct 6 2016
02bfa898eeb1Steve Plimpton
adjustments to balancing weights and factors, also XOR op for formulas, if… 
Oct 5 2016
c46be7db625eSteve Plimpton
changes to imbalance weight factors 
Oct 5 2016
91edee25302asjplimp/GitHub
Merge pull request #186 from akohlmey/small-bugfixes 
Sep 30 2016
b9d0f96a1923Steve Plimpton
change purge target in Makefile, also fixed one issue with Make.py 
Sep 30 2016
4337f2c240d7Axel Kohlmeyer
include charmm22 and charmm36 cmap files and include date added signature 
Sep 30 2016
446e7e736936Steve Plimpton
patch for allowing prd command to work with sorted atoms 
Sep 29 2016
35705217f4bbSteve Plimpton
enable multi-processor NEB replicas 
Sep 27 2016
9a2f7386731eSteve Plimpton
sync with SVN 
Sep 27 2016
f9677e6d7b71Steve Plimpton
released version of weighted balancing 
Sep 27 2016
47b52ed2ddf4Axel Kohlmeyer
Merge branch 'integration' into balance2 
Sep 26 2016
b97b9dd66188Steve Plimpton
new fix cmap command 
Sep 26 2016
08f0bf90253eSteve Plimpton
new verion of balance weighting 
Sep 23 2016
b27179bbef55Axel Kohlmeyer
restore bugfixes and updates that were lost. flag time dependet. correct use of… 
Sep 21 2016
b9b044e180dfSteve Plimpton
new fix ti/spring command, remove fix ti/rs 
Sep 20 2016
a69e059be324sjplimp/GitHub
Merge pull request #27 from akohlmey/small-bugfixes 
Sep 14 2016
fe2fca4e9b3bSteve Plimpton
clean-up of example files 
Sep 13 2016
944289b018a7Steve Plimpton
final version of pair vashishta/table 
Sep 13 2016
18cacb8e1dabAxel Kohlmeyer
ignore *.mod generated by fortran compilers 
Sep 13 2016
7de51430504eAxel Kohlmeyer
update vashishta pair style example 
Sep 8 2016
43b05a60c70eSteve Plimpton
created vashishta/table variant 
Sep 7 2016
ebce76c7f063Axel Kohlmeyer
updated and slightly refactored tabulation for vashishta pair style 
Aug 28 2016
c80dad002883Steve Plimpton
new fix flow/gauss command 
Aug 28 2016
2a6561e52af0Axel Kohlmeyer
add run 0 to USER-TALLY examples to enforce shake constraints on step 0 
Aug 22 2016
3349f7e14366sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15466 f3b2605a-c512-4ea7… 
Aug 10 2016
1780c86b8601athomps
Fixed error in ave/time version 
Aug 5 2016
3fe162a42d13sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15437 f3b2605a-c512-4ea7… 
Aug 5 2016
ee86bd2463f0sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15399 f3b2605a-c512-4ea7… 
Jul 30 2016
b3aeb43a93c4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15300 f3b2605a-c512-4ea7… 
Jul 13 2016
cec2f2518f68sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15225 f3b2605a-c512-4ea7… 
Jun 28 2016
ab7e896a76dbsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15150 f3b2605a-c512-4ea7… 
Jun 7 2016
0129ff9696c7sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15149 f3b2605a-c512-4ea7… 
Jun 7 2016
b5abf9342bc2sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15148 f3b2605a-c512-4ea7… 
Jun 7 2016
f3d5260813c9sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15145 f3b2605a-c512-4ea7… 
Jun 7 2016
a5fef35ebd99sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15144 f3b2605a-c512-4ea7… 
Jun 7 2016
b107958e8097sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15143 f3b2605a-c512-4ea7… 
Jun 7 2016
9c5655db7c48sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15130 f3b2605a-c512-4ea7… 
Jun 7 2016
5c19a0d788a7sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15094 f3b2605a-c512-4ea7… 
Jun 1 2016
4c107f450cc9sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15085 f3b2605a-c512-4ea7… 
May 31 2016
ac14f5bc36bdsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15084 f3b2605a-c512-4ea7… 
May 31 2016
87e06310cb52sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15051 f3b2605a-c512-4ea7… 
May 12 2016
62b95b6b34f4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15050 f3b2605a-c512-4ea7… 
May 12 2016
b0eea8950347sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15034 f3b2605a-c512-4ea7… 
May 11 2016
1463cb259841sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15020 f3b2605a-c512-4ea7… 
May 11 2016
00f3ccf3b017athomps
Added Einstein version of Green-Kubo 
Apr 19 2016
cf26690feb5cathomps
Corrected formula for case lx != ly 
Apr 12 2016
20f13bf13ddfathomps
Added a script to calculate elastic compliance tensor 
Apr 12 2016
7512821dd62asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14628 f3b2605a-c512-4ea7… 
Feb 15 2016
507bde5b5a92sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14627 f3b2605a-c512-4ea7… 
Feb 15 2016
ed9e16202518sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14626 f3b2605a-c512-4ea7… 
Feb 15 2016
2d43f007d11esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14617 f3b2605a-c512-4ea7… 
Feb 15 2016
9ac8547feba2sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14616 f3b2605a-c512-4ea7… 
Feb 15 2016
e7eced3711ebsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14615 f3b2605a-c512-4ea7… 
Feb 15 2016
9fc1ec8d309bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14614 f3b2605a-c512-4ea7… 
Feb 15 2016
2ed186132013sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14613 f3b2605a-c512-4ea7… 
Feb 15 2016
be035371f95asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14612 f3b2605a-c512-4ea7… 
Feb 15 2016
701b4a00a1afsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14611 f3b2605a-c512-4ea7… 
Feb 15 2016
bee7ffaee535sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14610 f3b2605a-c512-4ea7… 
Feb 15 2016
b1922ae7ca2asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14609 f3b2605a-c512-4ea7… 
Feb 15 2016
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