eonc::pathintegral::Sample Struct Reference

#include <PathIntegral.h>

Public Attributes
double	kineticCv {0.0}
double	meanForce {0.0}
	Average of n · f_centroid.
long	batches {0}

Detailed Description

Definition at line 68 of file PathIntegral.h.

Member Data Documentation

batches

long eonc::pathintegral::Sample::batches {0}

Definition at line 73 of file PathIntegral.h.

{0};

kineticCv

double eonc::pathintegral::Sample::kineticCv {0.0}

Definition at line 69 of file PathIntegral.h.

{0.0};

meanForce

double eonc::pathintegral::Sample::meanForce {0.0}

Average of n · f_centroid.

The derivative of the potential of mean force along the unit normal is the negative of this value.

Definition at line 72 of file PathIntegral.h.

{0.0};

---

The documentation for this struct was generated from the following file:

• /home/runner/work/eOn/eOn/include/eon/PathIntegral.h