Alternatives and similar repositories for rocky-river-hpc

Users that are interested in rocky-river-hpc are comparing it to the libraries listed below

• Tingliangstu / Lammps_tools
  Some scripting tools used for lammps input or output
  ☆62Updated 6 months ago
• jrschmidt2 / periodic-NBO
  ☆36Updated 6 years ago
• mzkhalid039 / DWBuilder
  Ferroelectric/Ferroelastic domain wall builder
  ☆23Updated last year
• c-niu / sqs2poscar
  A c++ code to convert bestsqs.out from mcsqs (ATAT) to POSCAR for VASP.
  ☆35Updated 9 years ago
• tyst3273 / phonon-sed
  Python codes to calculate phonon spectral energy density from LAMMPS velocity data.
  ☆29Updated 4 years ago
• yangjio4849 / TransOpt
  The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…
  ☆55Updated 3 years ago
• vaspkit / 1st_VASPKIT_CUP
  Source codes of the 1st VASPKIT-PAPATERA CUP Awards
  ☆26Updated 6 years ago
• zrfcms / SPaMD
  SPaMD (Scalable Parallel Materials/Molecular Design/Dynamics Studio) is an integrated software platform developed by the research group o…
  ☆27Updated 6 months ago
• SMTG-Bham / ThermoParser
  A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…
  ☆52Updated 6 months ago
• ponychen123 / Vasptools
  some toolkits for VASP
  ☆32Updated 4 years ago
• oekosheri / GB_code
  A grain boundary generation code
  ☆78Updated 2 years ago
• kavanase / vaspup2.0
  VASP Convergence Testing (for Energy & Dielectric Constants)
  ☆56Updated last week
• JMSkelton / ModeMap
  A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.
  ☆47Updated last year
• ksyang2013 / aimsgb
  Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)
  ☆67Updated last year
• 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…
  ☆57Updated 6 years ago
• Asif-Iqbal-Bhatti / High-Entropy-Alloys
  Generate random alloys and compute various properties
  ☆62Updated 11 months ago
• DerekDardzinski / vaspvis
  A highly flexible and customizable library for visualizing electronic structure data from VASP calculations.
  ☆42Updated last year
• Shiliang2333 / PotentialForHEA
  收集和整理适用于高熵合金分子动力学模拟的势函数。A set of interatomic potentials suitable for molecular dynamics simulations of high entropy alloys.
  ☆36Updated 4 months ago
• AdityaRoy-1996 / Phonopy_VESTA
  Export Eigenvectors from Phonopy format to VESTA
  ☆50Updated 10 months ago
• lxf-gzu / vasp_small_script
  ☆19Updated 6 years ago
• maituoy / BayesianOpt4dftu
  ☆41Updated last year
• MaterSim / vasprun
  quick analysis of vasp calculation
  ☆38Updated last year
• hityingph / Tutorial-on-atomic-simulations
  Tutorials on atomic simulations related to my research
  ☆31Updated 3 years ago
• gcmt-group / sod
  Site-Occupation Disorder
  ☆46Updated 7 months ago
• Tingliangstu / PPR-Phonon-Participation-Ratio
  Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …
  ☆24Updated 2 months ago
• michelegalasso / automag
  Automatic search for the most stable magnetic state of a given structure
  ☆24Updated 2 years ago
• xinqian-mit / API_Phonons
  This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.
  ☆32Updated last month
• skelton-group / Phono3py-Power-Tools
  Tools for Phono(3)py power users.
  ☆34Updated 2 years ago
• VASPsol / VASPsol
  ☆70Updated 7 months ago
• aboys-cb / NepTrainKit
  NepTrainKit is a Python package for visualizing and manipulating training datasets for NEP.
  ☆103Updated last week