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ORCA_SAFT
Obtaining SAFT-VR Mie parameters from ab initio calculations in ORCA
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Documentation
#6
BoomBangPow
opened
5 months ago
2
Reorganized files and cleaned up ORCA_SAFT.py
#5
ZhaoTianPu
closed
2 years ago
0
Modified ORCA_SAFT.py
#4
ZhaoTianPu
closed
3 years ago
0
Hpc
#3
pw0908
closed
3 years ago
0
Hpc
#2
pw0908
closed
3 years ago
0
Functions that calculates CoM and rotation related stuff
#1
pw0908
closed
4 years ago
0