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JuliaMolSim
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AtomsCalculatorsUtilities.jl
Utilities for implementing AtomsCalculators
MIT License
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Updates and fixes for calculators
#16
Closed
tjjarvinen
closed
1 month ago
tjjarvinen
commented
1 month ago
Fix executor support for
CombinationCalculator
Add combination call support for calculators - now
energy_forces
and
energy_forces_virial
work
CombinationCalculator
energy_forces
andenergy_forces_virial
work