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78e018829f
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Merge branch 'grem-feature' of https://github.com/dstelter92/lammps into grem-feature
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2016-11-18 14:48:47 -05:00 |
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2a026c9ad8
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revised temper_grem example, better file management
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2016-11-17 12:53:25 -05:00 |
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2e7fd513d4
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provide fix grem example input for nvt and npt
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2016-11-16 16:42:01 -05:00 |
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82364d10e3
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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
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2016-11-16 16:11:53 -05:00 |
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683f514fac
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simplify multi-replica run by passing per-replica parameters as variables on the command line
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2016-11-16 14:22:20 -05:00 |
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1c68e42ecc
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fix_modify is not longer needed
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2016-11-14 13:43:28 -05:00 |
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14c7cf4197
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retrieve target temperature and pressure from fix npt. add sanity checks.
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2016-11-13 23:18:59 -05:00 |
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26870f223d
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add example for gREM
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2016-11-13 23:18:14 -05:00 |
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