Asif_em2r

Hallo, I would like to ask in your webpage you have mentioned Delaunay triangulation symmetries for surface atoms. Is this technique implemented and can it be used to find optimal...

LLVM error on CPU

15

Hello, After running the and training on my data set I keep on getting this error on my machine: ```python The 'nopython' keyword argument was not supplied to the 'numba.jit'...

Cannot find in new version from pymatgen.symmetry.groups import SymmOp

1

Hello, I want to report that in new pymatgen version 'from pymatgen.symmetry.groups import SymmOp' SymmOp is not recognized. It has to be changed in the core module. Instead of SymmOp...

reading from ASE file slow error

9

Hello All, while running the code I got this error: UserWarning: Creating a tensor from a list of numpy.ndarrays is extremely slow. Please consider converting the list to a single...