| Name: | libderiv |
|---|---|
| Version: | 1.2.1 |
| Release: | 16.el9 |
| Architecture: | x86_64 |
| Group: | Unspecified |
| Size: | 54388648 |
| License: | LGPLv3 |
| RPM: | libderiv-1.2.1-16.el9.x86_64.rpm |
| Source RPM: | libint-1.2.1-16.el9.src.rpm |
| Build Date: | Thu Nov 03 2022 |
| Build Host: | build-ol9-x86_64.oracle.com |
| Vendor: | Oracle America |
| URL: | http://sourceforge.net/p/libint |
| Summary: | A library for computing derivatives of electron repulsion integrals |
| Description: | libderiv computes first and second derivatives of ERIs with respect to the coordinates of the basis function origin. This type of integrals are also very common in electronic structure theory, where they appear in analytic gradient expressions. The derivatives are typically used in the calculation of forces. |