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[feature] Investigate LAMMPS interaction potential input files as option for interaction potentials #184

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drobnyjt opened this issue Mar 7, 2022 · 0 comments
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enhancement New feature or request

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@drobnyjt
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drobnyjt commented Mar 7, 2022

Is your feature request related to a problem? Please describe.
Currently, new interaction potentials must be hard-coded, which is inconvenient.

Proposed solution
Investigate using the interaction potential file format from LAMMPS instead.

Alternative solution(s)
Figure out another text-based way of adding piecewise interaction potentials, functional interaction potentials, etc.

@drobnyjt drobnyjt added the enhancement New feature or request label Mar 7, 2022
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