parameters
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| parameters [2019/02/23 09:57] – daniel | parameters [2019/08/11 12:11] (current) – daniel | ||
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| - | ^ **imdpotsteps** | integer | 1000 | | + | ^ **imdpotsteps** | integer | 500 | |
| - | | number of points in each function in imd and lammps | + | | number of sampling |
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| ^ **extend** | float | 2.0 | | ^ **extend** | float | 2.0 | | ||
| | how many steps should the imd potentials be extrapolated, | | how many steps should the imd potentials be extrapolated, | ||
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| + | ^ **lammpspotsteps** | integer | 500 | | ||
| + | | number of sampling points in each funcation in LAMMPS potential files, see [[output: | ||
| ==== parameter for option coulomb | ==== parameter for option coulomb | ||
parameters.1550912229.txt.gz · Last modified: 2019/02/23 09:57 by daniel