IonsMoveBasicTest Class Reference

Inheritance diagram for IonsMoveBasicTest:

Collaboration diagram for IonsMoveBasicTest:

Protected Member Functions
virtual void	SetUp ()
virtual void	TearDown ()

Protected Attributes
UnitCell	ucell
double	move [6]
double	pos [6]
double	grad [6]
ModuleBase::matrix	force

Detailed Description

• Tested Functions:
  • Ions_Move_Basic::setup_gradient()
  • Ions_Move_Basic::move_atoms()
  • Ions_Move_Basic::check_converged()
  • Ions_Move_Basic::terminate()
  • Ions_Move_Basic::setup_etot()
  • Ions_Move_Basic::dot_func()
  • Ions_Move_Basic::third_order()

Member Function Documentation

SetUp()

virtual void IonsMoveBasicTest::SetUp ( )

inlineprotectedvirtual

Here is the call graph for this function:

TearDown()

virtual void IonsMoveBasicTest::TearDown ( )

inlineprotectedvirtual

Member Data Documentation

force

ModuleBase::matrix IonsMoveBasicTest::force

protected

grad

double IonsMoveBasicTest::grad[6]

protected

move

double IonsMoveBasicTest::move[6]

protected

pos

double IonsMoveBasicTest::pos[6]

protected

ucell

UnitCell IonsMoveBasicTest::ucell

protected

---

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

• /home/runner/work/abacus-develop/abacus-develop/source/source_relax/test/ions_move_basic_test.cpp