|
|
9f313aac75
|
shorter example
|
2016-11-16 20:43:41 -05:00 |
|
|
|
0102c5dadc
|
file cleanup
|
2016-11-16 20:38:53 -05:00 |
|
|
|
07e46b797a
|
added internal tempering in grem with example
|
2016-11-16 20:27:14 -05:00 |
|
|
|
82364d10e3
|
Merge branch 'grem-feature' of https://github.com/dstelter92/lammps into grem-feature
Resolved merge conflicts and adapted logic to most recent changes in feature branch
Closes #46
|
2016-11-16 16:11:53 -05:00 |
|
|
|
683f514fac
|
simplify multi-replica run by passing per-replica parameters as variables on the command line
|
2016-11-16 14:22:20 -05:00 |
|
|
|
1c68e42ecc
|
fix_modify is not longer needed
|
2016-11-14 13:43:28 -05:00 |
|
|
|
5f94b31806
|
add multi-replica example for gREM
|
2016-11-14 10:12:48 -05:00 |
|
|
|
14c7cf4197
|
retrieve target temperature and pressure from fix npt. add sanity checks.
|
2016-11-13 23:18:59 -05:00 |
|
|
|
26870f223d
|
add example for gREM
|
2016-11-13 23:18:14 -05:00 |
|
