History Graph
History Graph
| Commit | Author | Details | Committed | |||
|---|---|---|---|---|---|---|
| e7634a44f442 | dstelter92 | updated thermo_modify in example | Jun 14 2017 | |||
| 3214d639aa2e | dstelter92 | removed unneeded .gitignore | Jun 14 2017 | |||
| 0ad66ecb89dc | dstelter92 | Added compute_scalar to fix_grem for easier output managment, updated example… | Jun 14 2017 | |||
| 5c39dfd74089 | dstelter92 | re-ran example with fixed exchanges | Mar 20 2017 | |||
| 237307eda238 | dstelter92 | small typo and changes | Nov 22 2016 | |||
| d58dd4f15989 | dstelter92 | bugfix when parsing mpirun | Nov 22 2016 | |||
| ae70f1090f18 | dstelter92 | added readme for grem examples | Nov 22 2016 | |||
| dab232c542c1 | dstelter92 | modified temper_grem name to fit conventions, re-ran example to match | Nov 21 2016 | |||
| 78e018829fd2 | Axel Kohlmeyer | Merge branch 'grem-feature' of https://github.com/dstelter92/lammps into grem… | Nov 18 2016 | |||
| 2a026c9ad8ea | dstelter92 | revised temper_grem example, better file management | Nov 17 2016 | |||
| 4a3091f844ef | dstelter92 | modified temper_grem example with more exchanges | Nov 17 2016 | |||
| 4e62e58d291d | Axel Kohlmeyer/GitHub | Merge pull request #47 from dstelter92/grem-feature | Nov 17 2016 | |||
| 5ac2d9532ed6 | dstelter92 | Re-run example with debug off | Nov 17 2016 | |||
| 19ac9d295995 | dstelter92 | turned off dev mode by default in temper_grem | Nov 17 2016 | |||
| 9f313aac75f9 | dstelter92 | shorter example | Nov 17 2016 | |||
| 0102c5dadc3b | dstelter92 | file cleanup | Nov 17 2016 | |||
| 07e46b797a29 | dstelter92 | added internal tempering in grem with example | Nov 17 2016 | |||
| 2e7fd513d4f9 | Axel Kohlmeyer | provide fix grem example input for nvt and npt | Nov 16 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 | |||
| 1c68e42ecc02 | Axel Kohlmeyer | fix_modify is not longer needed | Nov 14 2016 | |||
| 5f94b318062b | Axel Kohlmeyer | add multi-replica example for gREM | Nov 14 2016 | |||
| 14c7cf419733 | Axel Kohlmeyer | retrieve target temperature and pressure from fix npt. add sanity checks. | Nov 14 2016 | |||
| 26870f223d66 | Axel Kohlmeyer | add example for gREM | Nov 14 2016 |
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