forcefields::Ccl::Rho Struct Reference

\( \rho \) parameter in paper. More...

#include <ccl.hpp>

Public Attributes
double	_1
	rho^1
double	_2
	rho^2
double	_3
	rho^3
double	n [3]
	Convert derivative to force.

Detailed Description

\( \rho \) parameter in paper.

See also

forcefields::Ccl

Definition at line 36 of file ccl.hpp.

Member Data Documentation

_1

double forcefields::Ccl::Rho::_1

rho^1

Definition at line 37 of file ccl.hpp.

_2

double forcefields::Ccl::Rho::_2

rho^2

Definition at line 38 of file ccl.hpp.

_3

double forcefields::Ccl::Rho::_3

rho^3

Definition at line 39 of file ccl.hpp.

n

double forcefields::Ccl::Rho::n[3]

Convert derivative to force.

Vector n is by definition the vector which satisfy the equation:

\[ \mathbf{F}=-\frac{dE}{d\rho}\mathbf{n} \]

It is equal to:

\[\mathbf n=\frac{\mathbf{r}}{|\mathbf{r}|}\frac{r_e}{\rho^2} \]

Definition at line 40 of file ccl.hpp.

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

• /home/runner/work/eOn/eOn/include/eon/potentials/Water/ccl.hpp
• /home/runner/work/eOn/eOn/client/potentials/Water/ccl.cpp