C++ Port of DFT-D4: Version 2.0

This release adapts the Fortran code structure, which also fixes the gradient. Additionally, the reference values from DFT-D4's periodic extension were added/fixed.

Changelog

• Add possibility to change parameters in zeta function by @awvwgk in #4
• Bugfix and update by @marvinfriede in #6
• Testsuite by @marvinfriede in #7
• Create tests for damping parameters by @marvinfriede in #8
• Real-space cutoffs by @marvinfriede in #9
• Major refactoring and gradient fix by @marvinfriede in #10
• Formatting by @marvinfriede in #12
• Minor fix by @marvinfriede in #13

New Contributors

• @marvinfriede made their first contribution in #6

Full Changelog: v1.0...v2.0