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QuantumPackage/src/nuclei
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Kevin Gasperich 464a6d70c4 resolved dev kpts merge
2020-06-16 10:38:27 -05:00
..
atomic_radii.irp.f changed some radiis for DFT 2019-08-30 20:00:29 +02:00
EZFIO.cfg kpt_num interface and deinit map 2 2020-05-28 14:55:36 -05:00
inertia.irp.f Initial commit 2019-01-25 11:39:31 +01:00
kconserv_cplx.irp.f fixed kpts cipsi 2020-03-26 11:30:15 -05:00
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.