LCPQ/quantum_package
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Anthony Scemama 2016-10-07 21:06:11 +02:00
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README.md
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@ -7,11 +7,14 @@ Set of quantum chemistry programs and libraries.
For more information, you can visit the [wiki of the project](http://github.com/LCPQ/quantum_package/wiki>), or below for the installation instructions. For more information, you can visit the [wiki of the project](http://github.com/LCPQ/quantum_package/wiki>), or below for the installation instructions.
Demo Demo
==== ====
[![Full-CI energy of C2 in 2 minutes](https://i.vimeocdn.com/video/555047954_295x166.jpg)](https://vimeo.com/scemama/quantum_package_demo "Quantum Package Demo") [![Full-CI energy of C2 in 2 minutes](https://i.vimeocdn.com/video/555047954_295x166.jpg)](https://vimeo.com/scemama/quantum_package_demo "Quantum Package Demo")
[![Frozen-core Full-CI energy of Ti](https://raw.githubusercontent.com/LCPQ/quantum_package/master/data/Titanium.png)](https://raw.githubusercontent.com/LCPQ/quantum_package/master/data/Titanium.png "Convergence of Ti in cc-pv{DTQ}Z")
# Installation # Installation
@ -155,7 +158,7 @@ Program exited with code 139.
#### Why ? #### Why ?
It's caused when we call the DGEM routine of LAPACK. It's caused when we call the DGEMM routine of LAPACK.
##### Fix ##### Fix

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