History Graph
History Graph
Commit | Author | Details | Committed | |||
---|---|---|---|---|---|---|
0ad66ecb89dc | dstelter92 | Added compute_scalar to fix_grem for easier output managment, updated example… | Jun 14 2017 | |||
df46b9aa38fc | Axel Kohlmeyer | rename compute pressure/grem to compute PRESSURE/GREM | Nov 22 2016 | |||
b95f255af4d4 | Steve Plimpton | small changes to temper/grem commands | Nov 22 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 | |||
f6179939444f | Axel Kohlmeyer | need to apply fix_modify already in fix grem constructor | Nov 16 2016 | |||
705f66aaee7a | Axel Kohlmeyer | remove superfluous code | Nov 16 2016 | |||
950442b8b151 | dstelter92 | added check for nvt vs npt, enabled nvt simulation with fix_grem | Nov 16 2016 | |||
0c25f3b1d6d9 | Axel Kohlmeyer | whitespace cleanup | Nov 14 2016 | |||
14c7cf419733 | Axel Kohlmeyer | retrieve target temperature and pressure from fix npt. add sanity checks. | Nov 14 2016 | |||
20daf82463fd | Axel Kohlmeyer | initial import of adapted gREM code by David Stelter and Edyta Malolepsza | Nov 14 2016 |
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