Feature: write Vxc(R) #6061
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Feature: write Vxc(R) #6061
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mohanchen
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Mar 27, 2025
mohanchen
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Refactor
Fisherd99
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Mar 31, 2025
* fix the R range of data-HR * feature: write Vxc(R) * add parameter out_mat_xc2 and update tests * fix compile
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... and a small fix for
out_mat_hs2: set R range according toHContainer hRinstead of the adjacent list, the latter is incorrect in exx case.