| Name : libderiv
| |
| Version : 1.2.1
| Vendor : Fedora Project
|
| Release : 21.fc41
| Date : 2024-07-19 01:43:20
|
| Group : Unspecified
| Source RPM : libint-1.2.1-21.fc41.src.rpm
|
| Size : 46.21 MB
| |
| Packager : Fedora Project
| |
| 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.
|
RPM found in directory: /vol/rzm3/linux-fedora-buffet/fedora/linux/development/41/Everything/x86_64/os/Packages/l |
