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igor-1982
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xDH4Gau
A python script to obtain XYG3-type doubly hybrid (xDH) results using the standard Gaussian xx package (xx=03, 09 and/or 16)
MIT License
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Can XGY3-family functional be used in other DFT software?
#5
scott-5
opened
1 year ago
7
Simplify Gxx_Environment
#4
hebrewsnabla
opened
1 year ago
0
add XDH-PBE0
#3
hebrewsnabla
closed
1 year ago
0
Create LICENSE
#2
igor-1982
closed
1 year ago
0
Fix an issue when special chars in file path
#1
ybyygu
closed
3 years ago
0