Minor improvements: CDFT, TB and G2G - Githubissues

MALBECC / lio

Linear implementation of DFT calculations (CPU and GPU)

GNU General Public License v2.0

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Minor improvements: CDFT, TB and G2G #320

Closed fedepedron closed 4 years ago

fedepedron commented 4 years ago

Fixed currentTB and mullikenTB file creation, even when TB was turned off.
Small improvements to CDFT jacobian obtention.
Fixed CUDA-related warnings in G2G and improved makefile dependencies.