DOCI-Exact | An Exact Doubly-Occupied Configuration Interaction Solver

by wpoely86 C++ Version: Current License: GPL-3.0

X-Ray Key Features Code Snippets Community Discussions Vulnerabilities Install Support

kandi X-RAY | DOCI-Exact Summary

DOCI-Exact is a C++ library. DOCI-Exact has no bugs, it has no vulnerabilities, it has a Strong Copyleft License and it has low support. You can download it from GitHub.

This is an exact solver for double occupied configuration interaction (DOCI). It builds the hamiltonian using compressed row storage (sparse) and uses lanczos (or fully diagonalization) to find the lowest eigenvalue and eigenvector. Using that eigenvector, it than builds the second order reduced density matrix (rdm) and stores it in a HDF5 file. It only builds the elements of the rdm that can be non-zero for DOCI.

Support

Quality

Security

License

Reuse

Support

DOCI-Exact has a low active ecosystem.

It has 1 star(s) with 0 fork(s). There are 1 watchers for this library.

It had no major release in the last 6 months.

DOCI-Exact has no issues reported. There are no pull requests.

It has a neutral sentiment in the developer community.

The latest version of DOCI-Exact is current.

Quality

DOCI-Exact has no bugs reported.

Security

DOCI-Exact has no vulnerabilities reported, and its dependent libraries have no vulnerabilities reported.

License

DOCI-Exact is licensed under the GPL-3.0 License. This license is Strong Copyleft.

Strong Copyleft licenses enforce sharing, and you can use them when creating open source projects.

Reuse

DOCI-Exact releases are not available. You will need to build from source code and install.

Installation instructions are available. Examples and code snippets are not available.

Top functions reviewed by kandi - BETA

kandi's functional review helps you automatically verify the functionalities of the libraries and avoid rework.
Currently covering the most popular Java, JavaScript and Python libraries. See a Sample of DOCI-Exact

Get all kandi verified functions for this library.

DOCI-Exact Key Features

No Key Features are available at this moment for DOCI-Exact.

DOCI-Exact Examples and Code Snippets

No Code Snippets are available at this moment for DOCI-Exact.

Community Discussions

No Community Discussions are available at this moment for DOCI-Exact.Refer to stack overflow page for discussions.

Community Discussions, Code Snippets contain sources that include Stack Exchange Network

Vulnerabilities

No vulnerabilities reported

Install DOCI-Exact

To build this, you need a C++11 compiler (gcc 4.8 or newer, clang 3.3 or newer), the HDF5 libraries, the blas and lapack libraries and the arpack library. The Makefile is quite simple, adjust the compilers and header/libraries as needed for your system.

Support

Everything is documented with doxygen. Run make doc to build the HTML docs. Or read the docs [online](http://wpoely86.github.io/DOCI-Exact/). If something is unclear, do not hesitate to contact me.

Find more information at: