| [BEEF](https://beefproject.com/) | BEEF is a library-based implementation of the Bayesian Error Estimation Functional, suitable for linking against by Fortran- or C-based DFT codes. A description of BEEF can be found at http://dx.doi.org/10.1103/PhysRevB.85.235149. |
| [CP2K](https://www.cp2k.org/) | CP2K is a freely available (GPL) program, written in Fortran 95, to perform atomistic and molecular simulations of solid state, liquid, molecular and biological systems. It provides a general framework for different methods such as e.g. density functional theory (DFT) using a mixed Gaussian and plane waves approach (GPW), and classical pair and many-body potentials. |
| [Critic2](https://aoterodelaroza.github.io/critic2/) | Critic2 is a program for the analysis of quantum mechanical calculation results in molecules and periodic solids. |
| [DFT-D4](https://www.chemie.uni-bonn.de/pctc/mulliken-center/software/dftd4) | Generally Applicable Atomic-Charge Dependent London Dispersion Correction. |
| [DFT-D4](https://github.com/dftd4/dftd4) | Generally Applicable Atomic-Charge Dependent London Dispersion Correction. |
| [dftd3-lib](https://github.com/dftbplus/dftd3-lib) | This is a repackaged version of the DFTD3 program by S. Grimme and his coworkers. The original program (V3.1 Rev 1) was downloaded at 2016-04-03. It has been converted to free format and encapsulated into modules. |
| DMACRYS | Description not available. |
| gdma | Description not available. |
...
...
@@ -168,7 +168,7 @@
| [Brotli](https://github.com/google/brotli) | Brotli is a generic-purpose lossless compression algorithm that compresses data using a combination of a modern variant of the LZ77 algorithm, Huffman coding and 2nd order context modeling, with a compression ratio comparable to the best currently available general-purpose compression methods. It is similar in speed with deflate but offers more dense compression. The specification of the Brotli Compressed Data Format is defined in RFC 7932. |
| [Catch2](https://github.com/catchorg/Catch2) | A modern, C++-native, header-only, test framework for unit-tests, TDD and BDD - using C++11, C++14, C++17 and later |
| [Check](https://libcheck.github.io/check/) | Check is a unit testing framework for C. It features a simple interface for defining unit tests, putting little in the way of the developer. Tests are run in a separate address space, so both assertion failures and code errors that cause segmentation faults or other signals can be caught. Test results are reportable in the following: Subunit, TAP, XML, and a generic logging format. |
| [cuTENSOR](None) | None |
| cuTENSOR | Description not available. |
| [double-conversion](https://github.com/google/double-conversion) | Efficient binary-decimal and decimal-binary conversion routines for IEEE doubles. |
| [elfutils](https://elfutils.org/) | The elfutils project provides libraries and tools for ELF files and DWARF data. |
| [ffnvcodec](https://git.videolan.org/?p=ffmpeg/nv-codec-headers.git) | FFmpeg nvidia headers. Adds support for nvenc and nvdec. Requires Nvidia GPU and drivers to be present (picked up dynamically). |
