Developer's Documentation - Open-Quantum-Platform/openqp GitHub Wiki
This page offers developer guides—a comprehensive resource designed to help software developers understand and efficiently use the Open Quantum Platform (OpenQP). The documentation provides:
As illustrated in Fig. below, the Open Quantum Platform (OpenQP) is built on several layers of components:
- Fortran base library: This layer consists of fundamental primitive routines and third-party libraries that form the foundation for higher-level quantum chemical calculations.
- Quantum Chemical Fortran library (referred to as modules in this document): These are the applied blocks of quantum chemistry algorithms designed for real-world calculations.
- Interface: C API routines that facilitate data exchange and allow third-party software, including Python, to call the corresponding modules.
- PyOQP: A reference quantum chemistry program written in Python that utilizes the module library (
liboqp.so).
Contents
- Interface Structure of OpenQP
- Quantum Chemistry Modules for Easy Interoperability
- Simple Data Structure for Easy Interoperability
- Dynamic Memory Allocation/Deallocation by TagArray Across Languagues
- Simple Code Examples of Module, TagArray and Tests
- CMake Options
- Directory Structures
- C API Structure
- External Libraries