mirror of https://gitlab.com/QEF/q-e.git
f047985b92
We implemented the new vdW-DF type functionals vdW-DF3-opt1, vdW-DF3-opt2, and vdW-DF-C6. For purposes of non-local functional implementation and evaluation, we also grouped similar implementations into ranges for the "inlc" variable. To this end, we have reserved inlc=1 to inlc=25 for vdW-DF development and we moved rVV10 to inlc=26. This allows for a cleaner code when parsing through the various non-local functionals. In addition, we have removed all instances of "inlc" and "get_inlc" in several source files where they are no longer needed. This work was performed by T. Thonhauser and is supported by NSF Grant No. 1712425. |
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