Draft: Make padding of EFT optional, allow compatibility with Subsystems/CompositeModels #11
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Forgot LinearAlgebra - oops Ignore CondaPkg from package tests Add general translation function between friction_atoms and EFT indices ODF improvements/refactor
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Looks ok, but looks like there are some dependency issues with NQCModels = "0.8.30". We should run all tests before merging (most tests are not included in automatic test checks). |
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Goes together with NQCD/NQCModels.jl#39 and NQCD/NQCDynamics.jl#349 |
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Still WIP.
ACE LDFA is currently tested working.
ODF not yet.