Avoid troubles with deallocation logging in parallel runs
First step toward periodic systems
Reorganize io into modules
Cube IO
Change a few conventions and add integration routine
More PBC features
First grid-spline evaluation routine
Fix typo
Allow checkpoint to be created afterwards
Helper script to set up atomic databases with external codes
Dump routine for cube files
IO routine for VASP5 chgcar files
Includes in atom script
Derive radii from proatoms
Fix mistake in cell code
eval_spline_grid
More tests and tuning of grid code
Use nbytes in announce and denounce
Hirshfeld partitioning on ae cube files
More precise log