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Add Lennard-Jones implementation and training of dispersion coefficients#60

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JMorado wants to merge 9 commits into
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JMorado:feature_lj
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Add Lennard-Jones implementation and training of dispersion coefficients#60
JMorado wants to merge 9 commits into
chemle:mainfrom
JMorado:feature_lj

Add fixed mode with initial configuration

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