From 3ff12c88ae92ecf8665128773f73fdb16e3b38b9 Mon Sep 17 00:00:00 2001 From: easybuild <you@example.com> Date: Tue, 23 Jul 2024 11:17:40 +0200 Subject: [PATCH] Tue, 23 Jul 2024 11:17:40 +0200 --- karolina.md | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/karolina.md b/karolina.md index dbb22df0..5d887f5f 100644 --- a/karolina.md +++ b/karolina.md @@ -22,7 +22,7 @@ | [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). | -- GitLab