LJ_pot_test Class Reference

Inheritance diagram for LJ_pot_test:

Collaboration diagram for LJ_pot_test:

Protected Member Functions
void	SetUp ()
void	TearDown ()

Protected Attributes
ModuleBase::Vector3< double > *	force
ModuleBase::matrix	stress
double	potential
int	natom
UnitCell	ucell
Input_para	input

Detailed Description

• Tested Function
  • ESolver_LJ::Run
    • calculate energy, force, virial for lj pot

Member Function Documentation

SetUp()

void LJ_pot_test::SetUp ( )

inlineprotected

Here is the call graph for this function:

TearDown()

void LJ_pot_test::TearDown ( )

inlineprotected

Member Data Documentation

force

ModuleBase::Vector3<double>* LJ_pot_test::force

protected

input

Input_para LJ_pot_test::input

protected

natom

int LJ_pot_test::natom

protected

potential

double LJ_pot_test::potential

protected

stress

ModuleBase::matrix LJ_pot_test::stress

protected

ucell

UnitCell LJ_pot_test::ucell

protected

---

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

• /home/runner/work/abacus-develop/abacus-develop/source/source_md/test/lj_pot_test.cpp