BJ Damping for D3 Dispersion Correction#438
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benrich37 wants to merge 20 commits intoshankar1729:masterfrom
Draft
BJ Damping for D3 Dispersion Correction#438benrich37 wants to merge 20 commits intoshankar1729:masterfrom
benrich37 wants to merge 20 commits intoshankar1729:masterfrom
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… instead of looking at the VDWstyle
… unused and then possibly uninitialized
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Adding the "D3BJ" option for the van-der-waals command. If specified instead of "D3", the 2011 BJ-damping version of the D3 dispersion correction will be used.