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namespace oopse { |
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|
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namespace OOPSEConstant { |
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< |
const double kb = 1.9872156E-3; // boltzman's constant in kcal/(mol K) |
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< |
const double kB = 8.31451e-7;// boltzmann constant amu*Ang^2*fs^-2/K |
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< |
const double energyConvert = 4.184E-4; // convert kcal/mol -> (amu A^2)/fs^2 |
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< |
const double pressureConvert = 1.63882576e8; // //converts amu*fs^-2*Ang^-1 -> atm |
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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 energyConvert = 4.184E-4; // convert kcal/mol -> (amu A^2)/fs^2 |
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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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} |
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} |
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#endif |
