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This repository is version 1 of QP. This version is not supported any more. Version 2 is available here : https://github.com/QuantumPackage/qp2
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2015-06-03 18:55:29 +02:00
bin Improved setup scripts to auto-install curl and m4 2014-10-23 22:40:21 +02:00
config Solve bug in gfortran. Need to add -I . But now we have warning... 2015-06-03 11:32:10 +02:00
data n_det_max in in dets, and PT2_max and var_pt2_max are in Perturbation. Delete all the multiple occurance 2015-05-12 15:14:54 +02:00
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src Set_ezfio_module_energy for DDCI and CAS_SD and and a COMPILE_RUN.md tutorial 2015-06-03 18:33:35 +02:00
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Quantum package

Build Status

Gitter

Set of quantum chemistry programs and libraries.

For more information, you can visit the wiki of the project, or the Install file.