Model Extended KIM ID =
=== Verification check vc-periodicity-support start (2022-11-08 16:16:14) ===
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!!!!! VERIFICATION CHECK: vc-periodicity-support !!!!!
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Description: Check that the model supports periodic boundary conditions
correctly. If the simulation box is increased by an integer factor
along a periodic direction, the total energy must multiply by that
factor and the forces on atoms that are periodic copies of each
other must be the same. The check is performed for a randomly
distorted non-periodic face-centered cubic (FCC) cube base
structure. Separate configurations are tested for each species
supported by the model, as well as one containing a random
distribution of all species. For each configuration, all possible
combinations of periodic boundary conditions are tested: TFF, FTF,
FFT, TTF, TFT, TTF, TTT (where 'T' indicates periodicity along a
direction, and 'F' indicates no periodicity). The verification
check passes if the energy of all configurations that the model is
able to compute support all periodic boundary conditions correctly.
Configurations used for testing are provided as auxiliary files.
Author: Ellad Tadmor
ERROR: Unable to perform verification check.
Message = std::bad_alloc
=== Verification check vc-periodicity-support end (2022-11-08 16:16:14) ===