psi::ObaraSaikaTwoCenterVIRecursion Class Reference
[libmints: Integral library]
Obara and Saika recursion object for potential integrals.
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#include <osrecur.h>
Inheritance diagram for psi::ObaraSaikaTwoCenterVIRecursion:
Public Member Functions | |
| ObaraSaikaTwoCenterVIRecursion (int max_am1, int max_am2) | |
| double *** | vi () const |
| Returns the potential integral 3D matrix. | |
| virtual void | compute (double PA[3], double PB[3], double PC[3], double zeta, int am1, int am2) |
| Computes the potential integral 3D matrix using the data provided. | |
Protected Member Functions | |
| void | calculate_f (double *F, int n, double t) |
Protected Attributes | |
| int | max_am1_ |
| int | max_am2_ |
| int | size_ |
| double *** | vi_ |
Detailed Description
Obara and Saika recursion object for potential integrals.Constructor & Destructor Documentation
| ObaraSaikaTwoCenterVIRecursion::ObaraSaikaTwoCenterVIRecursion | ( | int | max_am1, | |
| int | max_am2 | |||
| ) |
Constructor, max_am1 and max_am2 are the max angular momentum on center 1 and 2. Needed to allocate enough memory.
The documentation for this class was generated from the following files:
- libmints/osrecur.h
- libmints/osrecur.cc
