Alternatives and similar repositories for MacroDensity

Users that are interested in MacroDensity are comparing it to the libraries listed below

• EfremBraun / calc-ir-spectra-from-lammps
  This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.
  ☆53Updated 7 years ago
• WMD-group / ASE-Tutorials
  Examples of using the Atomic Simulation Environment
  ☆39Updated 9 years ago
• materialsproject / mpmorph
  MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently unde…
  ☆73Updated last year
• henniggroup / GASP-python
  Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.
  ☆58Updated 2 years ago
• lucydot / effmass
  Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.
  ☆83Updated 8 months ago
• SMTG-Bham / surfaxe
  Dealing with slabs for first principles calculations of surfaces
  ☆65Updated 2 years ago
• SMTG-Bham / easyunfold
  Band structure unfolding made easy!
  ☆59Updated last month
• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆90Updated 2 months ago
• WMD-group / Crystal_structures
  A collection of crystal structures from first-principles simulations
  ☆37Updated 5 years ago
• gcmt-group / sod
  Site-Occupation Disorder
  ☆49Updated 9 months ago
• tdep-developers / tdep
  The Temperature Dependent Effective Potentials (TDEP) code
  ☆97Updated last week
• freitas-rodrigo / FreeEnergyLAMMPS
  Examples demonstrating how to reproduce the results in the paper.
  ☆70Updated last year
• henniggroup / MPInterfaces
  Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and w…
  ☆77Updated 2 years ago
• mbkumar / pycdt
  ☆62Updated 3 years ago
• ajjackson / ascii-phonons
  Blender extensions for illustrations of phonons
  ☆67Updated 6 years ago
• abelcarreras / DynaPhoPy
  Phonon anharmonicity analysis from molecular dynamics
  ☆136Updated 4 months ago
• ksyang2013 / aimsgb
  Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)
  ☆70Updated last year
• VASPsol / VASPsol
  ☆75Updated 9 months ago
• dgehringer / sqsgenerator
  A tool for finding optimized SQS structures tool written in C++
  ☆61Updated last month
• orex / supercell
  The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.
  ☆104Updated last year
• SMTG-Bham / ShakeNBreak
  Defect structure-searching employing chemically-guided bond distortions
  ☆112Updated last week
• ulissigroup / vasp-interactive
  ☆73Updated 2 years ago
• oekosheri / GB_code
  A grain boundary generation code
  ☆80Updated 2 years ago
• elcorto / pwtools
  pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…
  ☆72Updated 8 months ago
• ICAMS / calphy
  A Python library and command line interface for automated free energy calculations
  ☆86Updated this week
• bjmorgan / vasppy
  A Python suite for manipulating VASP input and output
  ☆49Updated 2 months ago
• jkitchin / vasp
  New ASE compliant Python interface to VASP
  ☆139Updated last week
• JMSkelton / ModeMap
  A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.
  ☆47Updated last year
• materialyzeai / snap
  Repository for spectral neighbor analysis potential (SNAP) model development.
  ☆37Updated 5 years ago
• msg-byu / enumlib
  Derivative structure enumeration library
  ☆81Updated last year