• SearchFill

  • Referenced in 1 article [sw26745]
  • stochastic optimization code for detecting atomic vacancies in crystalline and non-crystalline 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 non-moving atoms and walls, unstoppable atoms with constant-velocity...
  • 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...
  • L-BFGS

  • Referenced in 759 articles [sw03229]
  • Algorithm 778: L-BFGS-B 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 Self-Consistent Multiple Scattering (LSMS) Method The...
  • M-TRAN

  • Referenced in 20 articles [sw07572]
  • M-TRAN (Modular Transformer) is a self-reconfigurable...
  • Roombots

  • Referenced in 3 articles [sw07573]
  • Roombots: Modular robotics for adaptive and self-organizing...
  • 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 high-level, general...