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|
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namespace OOPSEConstant { |
| 48 |
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const RealType kb = 1.9872156E-3; // boltzman's constant in kcal/(mol K) |
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< |
const RealType kB = 8.31451e-7;// boltzmann constant amu*Ang^2*fs^-2/K |
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> |
const RealType kB = 8.31451e-7; // boltzmann constant amu*Ang^2*fs^-2/K |
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const RealType energyConvert = 4.184E-4; // convert kcal/mol -> (amu A^2)/fs^2 |
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const RealType rotationalEnergyConvert = energyConvert*2.0*M_PI; |
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< |
const RealType pressureConvert = 1.63882576e8; // //converts amu*fs^-2*Ang^-1 -> atm |
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> |
const RealType pressureConvert = 1.63882576e8; // converts amu*fs^-2*Ang^-1 -> atm |
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const RealType surfaceTensorConvert = 1.43936; // convert N/m to kcal/mol*Ang^-2 |
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+ |
|
| 55 |
+ |
/* |
| 56 |
+ |
* viscoConvert |
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+ |
* used for products of: |
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+ |
* viscosity (Poise) * distance (Angstroms) * velocity (Angstrom / fs) |
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+ |
* returns values of: |
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+ |
* force in (kcal mol^-1 Angstrom^-1) |
| 61 |
+ |
*/ |
| 62 |
+ |
const RealType viscoConvert = 1.439326479e4; |
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} |
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} |
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#endif |
