This PR allows j3c to be sliced from the disk. The previous behaviour was to load the entire tensor for a single k-point into memory, which caused OoM errors for very large gamma point df tensors. Now, only the slice needed is loaded, according to the calculated blksize in sr_loop
This PR allows j3c to be sliced from the disk. The previous behaviour was to load the entire tensor for a single k-point into memory, which caused OoM errors for very large gamma point df tensors. Now, only the slice needed is loaded, according to the calculated blksize in sr_loop
sunqm/pyscf,sunqm/pyscf,sunqm/pyscf,sunqm/pyscf