# | Line 30 | Line 30 | class Thermo{ (public) | |
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30 | // tensor in | |
31 | // amu*fs^-2*Ang^-1 | |
32 | double getVolume(); // gives the volume in Ang^3 | |
33 | – | double getEnthalpy(); // gives the enthalpy in kcal/mol |
33 | ||
34 | int getNDF(); // get the number of degrees of freedom in the system | |
35 | int getNDFraw(); // get the number of raw degrees of freedom in the system |
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