Alternatives and similar repositories for Lammps_tools

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

• tamaswells / XDATCAR_toolkit
  XDATCAR_toolkit- A tool for convert XDATCAR to PDB
  ☆61Updated 6 years ago
• oekosheri / GB_code
  A grain boundary generation code
  ☆71Updated last year
• tyst3273 / phonon-sed
  Python codes to calculate phonon spectral energy density from LAMMPS velocity data.
  ☆27Updated 4 years ago
• tamaswells / VASPKIT_manual
  VASPKIT_manual markdown source!
  ☆79Updated 6 years ago
• 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…
  ☆55Updated 6 years ago
• freitas-rodrigo / FreeEnergyLAMMPS
  Examples demonstrating how to reproduce the results in the paper.
  ☆57Updated 9 months ago
• Chengcheng-Xiao / VASP_OPT_AXIS
  Fix lattice component(s) during relaxation in VASP
  ☆123Updated 3 years ago
• bigd4 / PyNEP
  A python interface of NEP
  ☆57Updated 8 months 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
• hityingph / Tutorial-on-atomic-simulations
  Tutorials on atomic simulations related to my research
  ☆29Updated 3 years ago
• by-student-2017 / lammps_education_reaxff_win
  ☆39Updated 6 months ago
• EfremBraun / calc-ir-spectra-from-lammps
  This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.
  ☆53Updated 7 years ago
• 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
  ☆123Updated 3 years ago
• dadaoqiuzhi / RMD_Digging
  RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based o…
  ☆44Updated 2 months ago
• ksaaskil / shc-python-tools
  Python tools for calculating the spectral heat current distribution from LAMMPS NEMD simulations
  ☆30Updated 3 years ago
• abelcarreras / DynaPhoPy
  Phonon anharmonicity analysis from molecular dynamics
  ☆130Updated 9 months ago
• chenggroup / new-comer-tutorial
  新生入学培训资料
  ☆19Updated 2 years ago
• B-C-WANG / VaspStudio
  An useful tool to submit your VASP job on HPC, manage your jobs and extract eneries...自动化VASP任务提交、计算结果提取，任务文件管理的工具
  ☆76Updated 4 years ago
• mz8879813 / LammpsPostprocessing
  Postprocessing of Lammps outfile to analyze ReaxFF dyanamics data
  ☆13Updated 6 years ago
• BigBroSci-LVTHW / LVTHW
  ☆57Updated 8 months ago
• USCCACS / ThermalTools
  LAMMPS plugins for thermal conductivity and density of states calculation
  ☆48Updated 6 years ago
• vaspkit / 1st_VASPKIT_CUP
  Source codes of the 1st VASPKIT-PAPATERA CUP Awards
  ☆26Updated 5 years ago
• robinzyb / cp2kdata
  cp2k postprocessing tools
  ☆68Updated 2 months ago
• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆87Updated 11 months ago
• dwsideriusNIST / LAMMPS_Examples
  Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models
  ☆87Updated 3 years ago
• Tingliangstu / New-Version-Spectral-decomposition-python-tools
  (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.
  ☆32Updated 8 months ago
• VASPsol / VASPsol
  ☆60Updated 4 months ago
• c-niu / sqs2poscar
  A c++ code to convert bestsqs.out from mcsqs (ATAT) to POSCAR for VASP.
  ☆34Updated 9 years ago
• aboys-cb / NepTrainKit
  NepTrainKit is a Python package for visualizing and manipulating training datasets for NEP.
  ☆68Updated 2 weeks ago
• winterPack / ReaxFF-Optimization
  Training code used to optimize reaxff force field (via LAMMPS)
  ☆19Updated 8 years ago