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Edit lammps calculator #25

Merged
merged 8 commits into from
Sep 12, 2019
Merged

Edit lammps calculator #25

merged 8 commits into from
Sep 12, 2019

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jonpvandermause
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The lammps calculator in flare/lammps is now more flexible, decoupling input, output, and data file generation (for both charged and uncharged systems). This file is mainly used for the long range AgI project, making it easy to perform Ewald sums and single point force calculations with generic pair styles.

The mff test has been updated to account for these changes.

@jonpvandermause jonpvandermause changed the base branch from development to master September 12, 2019 20:16
@jonpvandermause jonpvandermause merged commit 6baa200 into master Sep 12, 2019
@stevetorr stevetorr deleted the edit-lammps-calculator branch September 12, 2019 20:19
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