40 int main(
int argc,
char *argv[])
44 "Equilibrate and/or precondition molecular dynamics systems." 54 Info<<
"\nReading field U\n" <<
endl;
70 moleculeCloud molecules(
mesh, pot);
76 label nAveragingSteps = 0;
78 Info<<
"\nStarting time loop\n" <<
endl;
Applies temperature control to molecules.
Accumulates values for temperature and pressure measurement, and calculates and outputs the average v...
Ostream & endl(Ostream &os)
Add newline and flush stream.
Provides accumulation variables for temperatureAndPressure.H.
Calculates and prints the mean momentum and energy in the system and the number of molecules...
GeometricField< vector, fvPatchField, volMesh > volVectorField
messageStream Info
Information stream (stdout output on master, null elsewhere)