Classes | Namespaces | Enumerations
gshell.h File Reference
#include <cstdio>
#include <vector>
#include "psi4/libmints/vector3.h"

Go to the source code of this file.


class  psi::ShellInfo
 This class has the same behavior as GaussianShell, but implements everything using slower data structures, which are easier to construct. These are used to build the basis set, which builds more efficient pointer-based GaussianShell objects. More...
class  psi::GaussianShell
 Gaussian orbital shell. More...


 Rotate a set of vectors around an arbitrary axis Vectors are rows of input matrix.


enum  psi::PrimitiveType { psi::Normalized, psi::Unnormalized }
enum  psi::GaussianType { psi::Cartesian = 0, psi::Pure = 1 }