ForceBalance API
1.3
Automated optimization of force fields and empirical potentials
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Public Member Functions | |
def | __init__ (self, idnr, label=None, refs=None, weights=None, names=None, units=None, temperature=None, pressure=None, data=None) |
def | __str__ (self) |
Public Attributes | |
idnr | |
ref | |
temperature | |
pressure | |
data | |
def src.thermo.Point.__init__ | ( | self, | |
idnr, | |||
label = None , |
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refs = None , |
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weights = None , |
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names = None , |
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units = None , |
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temperature = None , |
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pressure = None , |
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data = None |
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) |