LCPQ/quantum_package
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2 Commits

Author SHA1 Message Date
Anthony Scemama
b91c9ebad1
Merge Anouar (#69) 
* Converter for Pyscf

* Scripts to read integrals and metadata and generates fake ezfio

* update README

* Trying to fix jbuilder bug in OCaml installation

* Do AO->MO  transformation from pyscf in QP

* Optimization of reader due to format creux

* Optimization of reader due to format creux 2
 2018-05-07 12:06:25 +02:00
TApplencourt
7a455d8fd6 Add plugings to read the Molecular integrals 2017-05-08 16:38:51 +00:00