PTEROSOR/QuantumPackage
10
0
Fork 0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-11-13 01:23:52 +01:00
Code Releases Activity
4a044b02de
QuantumPackage/src/nuclei
History
Anthony Scemama a90b446beb Fixed floating-point exceptions
2020-05-25 19:22:10 +02:00
..
atomic_radii.irp.f changed some radiis for DFT 2019-08-30 20:00:29 +02:00
EZFIO.cfg minor name change 2019-12-09 12:16:48 -06:00
inertia.irp.f Initial commit 2019-01-25 11:39:31 +01:00
NEED Initial commit 2019-01-25 11:39:31 +01:00
nuclei.irp.f Fixed floating-point exceptions 2020-05-25 19:22:10 +02:00
README.rst Initial commit 2019-01-25 11:39:31 +01:00

README.rst 

======
nuclei
======

This module contains data relative to the nuclei (coordinates, charge,
nuclear repulsion energy, etc).
The coordinates are expressed in atomic units.