| # | 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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