# | Line 33 | Line 33 | void ExtendedSystem::NoseHooverNVT( double dt, double | |
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33 | // amu*Ang^2*fs^-2/K | |
34 | DirectionalAtom* dAtom; | |
35 | ||
36 | – | |
36 | ke_temp = ke * e_convert; | |
37 | NkBT = (double)ndf * kB * targetTemp; | |
38 |
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