Alternatives and similar repositories for Candela

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

• MabinogiX / VASP-script
  ☆127Updated 6 years ago
• Chengcheng-Xiao / VASP_OPT_AXIS
  Fix lattice component(s) during relaxation in VASP
  ☆131Updated last month
• QijingZheng / VaspBandUnfolding
  A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.
  ☆260Updated 8 months ago
• tamaswells / VASP_script
  Useful scripts for VASP
  ☆195Updated 4 years ago
• henniggroup / VASPsol
  Solvation model for the plane wave DFT code VASP.
  ☆171Updated 3 months ago
• raman-sc / VASP
  Python program to evaluate off-resonance Raman activity using VASP code as the backend.
  ☆179Updated last week
• deepmodeling / dpdata
  A Python package for manipulating atomistic data of software in computational science
  ☆238Updated last week
• QijingZheng / pyband
  band plot using python matplotlib
  ☆177Updated last year
• zhangzhengde0225 / VaspCZ
  VaspCZ: an Efficient VASP Computation Assistant Program, with High Throughput Computing. 包含静态优化、过渡态计算、振动分析等
  ☆125Updated 3 years ago
• abelcarreras / DynaPhoPy
  Phonon anharmonicity analysis from molecular dynamics
  ☆135Updated 2 months ago
• tang070205 / tools
  Some scripts for gpumd and nep
  ☆59Updated 2 weeks ago
• Jonsnow-willow / GPUMD-Wizard
  Material structure processing software based on ASE (Atomic Simulation Environment)
  ☆64Updated 3 weeks ago
• QijingZheng / Hefei-NAMD
  ab-initio nonadiabatic molecular dynamics program
  ☆116Updated last year
• deepmodeling / abacus-develop
  An electronic structure package based on either plane wave basis or numerical atomic orbitals.
  ☆233Updated last week
• nanotheorygroup / kaldo
  Anharmonic Lattice Dynamics
  ☆166Updated last week
• aboys-cb / NepTrainKit
  NepTrainKit is a Python package for visualizing and manipulating training datasets for NEP.
  ☆106Updated 2 weeks ago
• FourPhonon / Fourthorder
  In analogy with thirdorder.py in ShengBTE, Fourthorder.py is developed to calculate fourth-order interatomic force-constants (4th-IFCs). …
  ☆28Updated 2 years ago
• zjwang11 / IRVSP
  IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…
  ☆123Updated 3 years ago
• tamaswells / XDATCAR_toolkit
  XDATCAR_toolkit- A tool for convert XDATCAR to PDB
  ☆62Updated 6 years ago
• zhyan0603 / GPUMDkit
  A Toolkit for GPUMD&NEP
  ☆94Updated last week
• jkitchin / vasp
  New ASE compliant Python interface to VASP
  ☆135Updated 3 years ago
• brucefan1983 / NEP_CPU
  CPU version of NEP
  ☆86Updated last week
• SMTG-Bham / sumo
  Heavyweight plotting tools for ab initio calculations
  ☆235Updated 7 months ago
• tamaswells / VASPKIT_manual
  VASPKIT_manual markdown source!
  ☆81Updated 6 years ago
• simongravelle / lammps-input-files
  LAMMPS inputs and data files
  ☆289Updated last year
• FourPhonon / FourPhonon
  An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity
  ☆72Updated last month
• SMTG-Bham / doped
  doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…
  ☆227Updated last week
• hackingmaterials / amset
  Electronic transport properties from first-principles calculations
  ☆157Updated 2 weeks ago
• ttadano / alamode
  Ab initio simulator for thermal transport and lattice anharmonicity
  ☆182Updated this week
• QuantumLab-ZY / HamGNN
  An E(3) equivariant Graph Neural Network for predicting electronic Hamiltonian matrix
  ☆151Updated this week