Alternatives and similar repositories for cp2kdata:

Users that are interested in cp2kdata are comparing it to the libraries listed below

• cp2k / cp2k-output-tools
  Python tools to handle CP2K output files
  ☆39Updated last week
• avishart / CP2K_Editor
  CP2K Editor is a simple GUI for creating input files in the atomistic program CP2K. It is a easy and fast way to create the complex input…
  ☆54Updated 5 years ago
• freitas-rodrigo / FreeEnergyLAMMPS
  Examples demonstrating how to reproduce the results in the paper.
  ☆56Updated 6 months ago
• hernanchavezthielemann / GRO2LAM
  Gromacs to Lammps simulation converter
  ☆78Updated last year
• SINGROUP / pycp2k
  Python Cp2k interface
  ☆95Updated 2 years ago
• cp2k / cp2k-input-tools
  Fully validating pure-python CP2K input file tools including preprocessing capabilities
  ☆53Updated last week
• VASPsol / VASPsol
  ☆47Updated 2 weeks ago
• srtee / lammps-USER-CONP2
  updated constant potential plugin for LAMMPS
  ☆39Updated 2 years ago
• compchem-cybertraining / Tutorials_CP2K
  Tutorials on CP2K calculations
  ☆51Updated 3 years ago
• hsulab / GDPy
  Generating Deep Potential with Python
  ☆66Updated last week
• ulissigroup / vasp-interactive
  ☆67Updated 2 years ago
• JaGeo / LobsterPy
  Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemis…
  ☆87Updated 3 weeks ago
• tobacco-mofs / tobacco_3.0
  ☆53Updated 4 years ago
• MaginnGroup / PyLAT
  ☆108Updated 2 years ago
• EfremBraun / calc-ir-spectra-from-lammps
  This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.
  ☆51Updated 6 years ago
• SMTG-Bham / surfaxe
  Dealing with slabs for first principles calculations of surfaces
  ☆63Updated last year
• tamaswells / XDATCAR_toolkit
  XDATCAR_toolkit- A tool for convert XDATCAR to PDB
  ☆60Updated 5 years ago
• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆86Updated 8 months ago
• MarsalekGroup / aml
  A... M... L...
  ☆47Updated 3 years ago
• ICAMS / calphy
  A Python library and command line interface for automated free energy calculations
  ☆76Updated 2 weeks ago
• orlandoacevedo / IL
  Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)
  ☆61Updated 8 months ago
• by-student-2017 / lammps_education_reaxff_win
  ☆37Updated 2 months ago
• penghao-xiao / Electrochemical-barrier
  ☆25Updated 2 years ago
• chenggroup / new-comer-tutorial
  新生入学培训资料
  ☆19Updated 2 years ago
• zhangylch / REANN
  ☆58Updated 4 months ago
• jrschmidt2 / periodic-NBO
  ☆36Updated 5 years ago
• bigd4 / PyNEP
  A python interface of NEP
  ☆50Updated 4 months ago
• zhenxingwang / lammps-conp
  Constant potential method in LAMMPS
  ☆49Updated last year
• LePingKYXK / Velocity-ACF
  Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).
  ☆26Updated last year
• akohlmey / topotools
  VMD plugin for manipulating topology information
  ☆36Updated 2 weeks ago