lammps

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Steve Plimpton 1225f7d1e0 small changes to examples scripts for regression purposes

2020-05-06 15:28:27 -06:00

data.ch4

2011-02-22 22:35:22 +00:00

data.ch4_ionized

2011-02-22 22:35:22 +00:00

in.ch4_ionized.dynamics

2020-05-06 15:28:27 -06:00

in.ch4.dynamics

2020-05-06 15:28:27 -06:00

in.ch4.min

2020-05-06 15:28:27 -06:00

README

2011-02-22 22:35:22 +00:00

Methane, valence electron ionization and full molecule tests (spe, min, dynamics).
Note: electron mass set to 1