lammps

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Trung Nguyen e9f07af140 added the reference log files for example inputs under PACKAGES/eff

2025-02-01 14:55:38 -06:00

data.Li.ang

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2021-06-29 11:23:47 -04:00

data.Li.bohr

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in.Li.ang

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in.Li.bohr

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log.01Feb25.Li.ang.g++.4

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log.01Feb25.Li.bohr.g++.4

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README

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Lithium fcc example, verifies global pressure, computed through the total virials and kinetics,
is equal to the sum of atomic virials and kinetics.