Currently, the energies are divided by the batch-size, so that the energies stay the same independent of the size of the batch. But this is not a good idea, because then one requires a different learning rate for different batch sizes.
Needs to be fixed (i.e., remove division by batch-size for all the energy terms), but maybe add a display option that also displays energy normalized by batch if desired.
marcniethammer
commented
6 years ago
Currently, the energies are divided by the batch-size, so that the energies stay the same independent of the size of the batch. But this is not a good idea, because then one requires a different learning rate for different batch sizes.
Needs to be fixed (i.e., remove division by batch-size for all the energy terms), but maybe add a display option that also displays energy normalized by batch if desired.