lammpstrj

Documentation

Index

• type VAC
  • func New(c *vac.VAC) *VAC
  • func (m *VAC) End() error
  • func (m *VAC) GetCfg(c int) ([][3]float64, error)
  • func (m *VAC) Read() error

Types

type VAC

type VAC struct {
	*vac.VAC
	// contains filtered or unexported fields
}

VAC is a structure specific to a Lammps Trajectory file. It contains the xyz coordinates for the configurations that are in the memory and the position of the vx vy vz coordinates for the configurations that are not in the memory. It also contains the number of columns and the position of the fields xu yu and zu.

func New

func New(c *vac.VAC) *VAC

New returns an instance of the VAC structure for a Lammps Trajectory file.

func (*VAC) End

func (m *VAC) End() error

End closes the file opened.

func (*VAC) GetCfg

func (m *VAC) GetCfg(c int) ([][3]float64, error)

GetCfg returns the positions xu yu and zu for a specified configuration.

func (*VAC) Read

func (m *VAC) Read() error

Read is part of the VAC interface in the vac package. It reads the configurations and put the last ones into memory. It also reads the position of the lines of the configurations that won't be put in memory.