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Atomic-orbital Based Ab-initio Computation at UStc
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Public Attributes | List of all members
CubeIOTest Struct Reference
Inheritance diagram for CubeIOTest:
Collaboration diagram for CubeIOTest:

Public Attributes

std::vector< std::string > comment
 
int natom = 0
 
std::vector< double > origin
 
std::vector< int > nvoxel
 
int nx_read = 0
 
int ny_read = 0
 
int nz_read = 0
 
std::vector< double > dx
 
std::vector< double > dy
 
std::vector< double > dz
 
std::vector< std::vector< double > > axis_vecs
 
std::vector< int > atom_type
 
std::vector< double > atom_charge
 
std::vector< std::vector< double > > atom_pos
 
std::vector< double > data_read
 
const std::string fn = "./support/chgs1.cube"
 

Member Data Documentation

◆ atom_charge

std::vector<double> CubeIOTest::atom_charge

◆ atom_pos

std::vector<std::vector<double> > CubeIOTest::atom_pos

◆ atom_type

std::vector<int> CubeIOTest::atom_type

◆ axis_vecs

std::vector<std::vector<double> > CubeIOTest::axis_vecs

◆ comment

std::vector<std::string> CubeIOTest::comment

◆ data_read

std::vector<double> CubeIOTest::data_read

◆ dx

std::vector<double> CubeIOTest::dx

◆ dy

std::vector<double> CubeIOTest::dy

◆ dz

std::vector<double> CubeIOTest::dz

◆ fn

const std::string CubeIOTest::fn = "./support/chgs1.cube"

◆ natom

int CubeIOTest::natom = 0

◆ nvoxel

std::vector<int> CubeIOTest::nvoxel

◆ nx_read

int CubeIOTest::nx_read = 0

◆ ny_read

int CubeIOTest::ny_read = 0

◆ nz_read

int CubeIOTest::nz_read = 0

◆ origin

std::vector<double> CubeIOTest::origin

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