Particle's distance vector flipps during minimization causing unrealistic Energy error (lost bond atoms)
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3
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26
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May 1, 2025
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ERROR spotting for Beta-W lammps INPUT File
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1
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102
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April 15, 2024
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How is the value of `energy per atom` and `formation_energy_per_atom` obtained in MP?
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1
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244
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March 29, 2024
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Exporting Pair part, embedded part, and electron density
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1
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224
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July 4, 2023
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Calculating Interaction Energy between an Atom/Molecule and Surface using LAMMPS
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2
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683
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January 19, 2023
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Group potential energies
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1
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344
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April 25, 2022
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