
SearchFill
 Referenced in 1 article
[sw26745]
 stochastic optimization code for detecting atomic vacancies in crystalline and noncrystalline systems. We present ... stochastic optimization algorithm applied to location of atomic vacancies. Our method labels an empty point...

XaNSoNS
 Referenced in 1 article
[sw30448]
 functions (PDF) for amorphous or crystalline nanoparticles (up to ∼ atoms) of heterogeneous structural content. Among ... structure the user may specify atomic displacements, site occupancies, molecular displacements and molecular rotations ... software uses general equations nonspecific to crystalline structures to calculate the scattering intensity. It supports...

Fullrmc
 Referenced in 0 articles
[sw18974]
 package “fullrmc” for atomic or rigid body and molecular, amorphous, or crystalline materials is presented ... programming practices. fullrmc approach in solving an atomic or molecular structure is different from existing...

critic
 Referenced in 2 articles
[sw00166]
 topological analysis of the electron densities of crystalline solids. Two different versions of the code ... critic can locate their critical points, determine atomic basins and integrate properties within them...

PiNN
 Referenced in 1 article
[sw30601]
 Atomic Neural Networks of Molecules and Materials. Atomic neural networks (ANNs) constitute a class ... tested using datasets of isolated small molecules, crystalline materials, liquid water and an aqueous alkaline ... tensor calculations and interfaces to both the Atomic Simulation Environment and a development version...

LPMD
 Referenced in 1 article
[sw12495]
 perform equilibrium MD simulations of bulk crystalline solids, amorphous solids and liquids, as well ... involve unusual MD features like nonmoving atoms and walls, unstoppable atoms with constantvelocity...

Maple
 Referenced in 5199 articles
[sw00545]
 The result of over 30 years of cutting...

Mathematica
 Referenced in 6090 articles
[sw00554]
 Almost any workflow involves computing results, and that...

GULP
 Referenced in 20 articles
[sw01459]
 GULP is a program for performing a variety...

LBFGS
 Referenced in 759 articles
[sw03229]
 Algorithm 778: LBFGSB Fortran subroutines for...

FFTW
 Referenced in 504 articles
[sw04126]
 FFTW is a C subroutine library for computing...

ABAQUS
 Referenced in 1510 articles
[sw04215]
 The Abaqus Unified FEA product suite offers powerful...

LSMS
 Referenced in 3 articles
[sw06120]
 Locally SelfConsistent Multiple Scattering (LSMS) Method The...

Matplotlib
 Referenced in 308 articles
[sw06590]
 matplotlib is a python 2D plotting library which...

MTRAN
 Referenced in 20 articles
[sw07572]
 MTRAN (Modular Transformer) is a selfreconfigurable...

Roombots
 Referenced in 3 articles
[sw07573]
 Roombots: Modular robotics for adaptive and selforganizing...

Molecubes
 Referenced in 9 articles
[sw07574]
 Molecubes – an attractive programmable robotics system Molecubes could...

Python
 Referenced in 1697 articles
[sw14460]
 Python is a widely used highlevel, general...