Searched refs:myTemperature (Results 1 – 10 of 10) sorted by relevance
| /dports/biology/protomol/protomol/framework/integrators/ |
| H A D | NoseNVTLeapfrogIntegrator.cpp | 22 myTemperature(0.0), in NoseNVTLeapfrogIntegrator()
33 myTemperature(temperature), in NoseNVTLeapfrogIntegrator()
60 myTargetKE = (3.0/2.0*positions->size() * Constant::BOLTZMANN * myTemperature); in initialize()
75 …parameters.push_back(Parameter("temperature",Value(myTemperature,ConstraintValueType::NotNegative(… in getParameters()
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| H A D | DMDLeapfrogIntegrator.cpp | 27 myTemperature(-1.0), in DMDLeapfrogIntegrator()
44 myTemperature(temperature), in DMDLeapfrogIntegrator()
46 mySigma(sqrt(2*myGamma*myTemperature*Constant::BOLTZMANN)), in DMDLeapfrogIntegrator()
263 …parameters.push_back(Parameter("temperature",Value(myTemperature,ConstraintValueType::NotNegative(… in getParameters()
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| H A D | PaulTrapIntegrator.cpp | 39 myTemperature(0.0), in PaulTrapIntegrator()
57 myTemperature(temperature), in PaulTrapIntegrator()
93 Real theTemperature = myTemperature; in doDrift()
276 …parameters.push_back(Parameter("temperature",Value(myTemperature,ConstraintValueType::NotNegative(… in getParameters()
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| H A D | NoseNVTLeapfrogIntegrator.h | 68 const Real myTemperature;
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| H A D | DMDLeapfrogIntegrator.h | 89 Real myTemperature; variable
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| H A D | PaulTrapIntegrator.h | 104 const Real myTemperature; variable
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| /dports/science/lammps/lammps-stable_29Sep2021/lib/atc/ |
| H A D | KinetoThermostat.cpp | 642 DENS_MAT & myTemperature(temperature_.set_quantity()); in apply_post_corrector() local
644 myTemperature -= deltaEnergy2_; in apply_post_corrector()
674 myTemperature += deltaEnergy2_; in apply_post_corrector()
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| H A D | Thermostat.cpp | 972 DENS_MAT & myTemperature(temperature_.set_quantity()); in apply_post_corrector() local
974 myTemperature -= deltaEnergy2_; in apply_post_corrector()
996 myTemperature += deltaEnergy2_; in apply_post_corrector()
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| /dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/lib/atc/ |
| H A D | Thermostat.cpp | 793 DENS_MAT & myTemperature(temperature_.set_quantity()); in apply_post_corrector() local
795 myTemperature -= deltaEnergy2_; in apply_post_corrector()
815 myTemperature += deltaEnergy2_; in apply_post_corrector()
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| /dports/biology/protomol/protomol/ |
| H A D | tags | 5757 myTemperature framework/integrators/DMDLeapfrogIntegrator.h /^ Real myTemperature;$/;" m class:P…
5758 myTemperature framework/integrators/NoseNVTLeapfrogIntegrator.h /^ const Real myTemperature;…
5759 myTemperature framework/integrators/PaulTrapIntegrator.h /^ const Real myTemperature;$/;" m …
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