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QuantumPackage/src/nuclei
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Kevin Gasperich 3ca3dc3061 working on complex 3-index integrals
2020-02-11 17:35:28 -06:00
..
atomic_radii.irp.f changed some radiis for DFT 2019-08-30 20:00:29 +02:00
EZFIO.cfg working on complex 3-index integrals 2020-02-11 17:35:28 -06:00
inertia.irp.f Initial commit 2019-01-25 11:39:31 +01:00
kconserv_complex.irp.f working on complex 3-index integrals 2020-02-11 17:35:28 -06:00
NEED Initial commit 2019-01-25 11:39:31 +01:00
nuclei.irp.f Renamed disk_access_nuclear_repulsion 2019-07-23 14:54:03 +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.