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[ 原始碼: debichem  ]

套件: debichem-molecular-abinitio (0.0.10)

DebiChem Molecular Ab Initio Calculations

This metapackage will install packages doing molecular ab initio calculations which might be useful for chemists.

其他與 debichem-molecular-abinitio 有關的套件

  • 依賴
  • 推薦
  • 建議
  • rec: aces3
    Advanced Concepts in Electronic Structure III
  • rec: bagel
    Computational Chemistry Package
  • rec: chemps2
    Executable to call libchemps2-3 from the command line
  • rec: cp2k
    Ab Initio Molecular Dynamics
  • rec: elk-lapw
    All-Electron Density-Functional Electronic Structure Code
  • rec: ergo
    Quantum chemistry program for large-scale calculations
  • rec: mpqc
    Massively Parallel Quantum Chemistry Program
  • rec: mpqc3
    Massively Parallel Quantum Chemistry Program
  • rec: nwchem
    High-performance computational chemistry software
  • rec: psi3
    Quantum Chemical Program Suite
  • rec: psi4
    Quantum Chemical Program Suite

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