mpqc

The Massively Parallel Quantum Chemistry program (MPQC) computes the properties of molecules from first principles.

This documentation is divided into the following chapters:

• MPQC Overview
• Compiling MPQC
• Running MPQC
• MPQC Input
• Validating MPQC
• Running Psi 3 from MPQC
• CCA Components
• MPQC License
• MPQC Warranty