
PyCDFT
 Referenced in 1 article
[sw33370]
 Python package to compute diabatic states using constrained density functional theory (CDFT). PyCDFT provides ... potentials are added to the KohnSham Hamiltonian. Here we demonstrate the use of PyCDFT ... with a massively parallel firstprinciples molecular dynamics code, Qbox, and we benchmark its accuracy...

ADOLC
 Referenced in 249 articles
[sw00019]
 ADOLC: Automatic Differentiation of C/C++. We present...

CXSC
 Referenced in 110 articles
[sw00181]
 CXSC. A programming environment for verified scientific...

GELDA
 Referenced in 33 articles
[sw00331]
 GELDA is a Fortran77 sofware package for the...

GGobi
 Referenced in 49 articles
[sw00345]
 GGobi is an open source visualization program for...

Ginv
 Referenced in 8 articles
[sw00350]
 Specialized computer algebra system GINV. The computer algebra...

LAPACK
 Referenced in 1702 articles
[sw00503]
 LAPACK is written in Fortran 90 and provides...

LEDA
 Referenced in 263 articles
[sw00509]
 In the core computer science areas  data structures...

Maple
 Referenced in 5375 articles
[sw00545]
 The result of over 30 years of cutting...

Mathematica
 Referenced in 6360 articles
[sw00554]
 Almost any workflow involves computing results, and that...

Matlab
 Referenced in 13559 articles
[sw00558]
 MATLAB® is a highlevel language and interactive...

Octave
 Referenced in 304 articles
[sw00646]
 GNU Octave is a highlevel language, primarily...

polymake
 Referenced in 326 articles
[sw00724]
 polymake is open source software for research in...

PROFIL/BIAS
 Referenced in 134 articles
[sw00733]
 PROFIL (Programmer’s Runtime Optimized Fast Interval Library...

QMRPACK
 Referenced in 78 articles
[sw00754]
 QMRPACK: A package of QMR algorithms. The quasi...

R
 Referenced in 10082 articles
[sw00771]
 R is a language and environment for statistical...

REDUCE
 Referenced in 746 articles
[sw00789]
 REDUCE is an interactive system for general algebraic...

SageMath
 Referenced in 2021 articles
[sw00825]
 Sage (SageMath) is free, opensource math software...

ScaLAPACK
 Referenced in 418 articles
[sw00830]
 ScaLAPACK is an acronym for scalable linear algebra...