MOKIT Doc

for MOKIT version 1.2.7

MOKIT developers

Oct 12, 2025

Contents

• Introduction and how-to-cite
• Installation
• Quick Start
• User's Guide
  • Syntax rule, Memory and parallel settings
  • Methods and keywords in automr
  • Utilities
  • APIs
  • Methods and keywords in autosr
• Examples
• Developer's Guide
• Papers citing MOKIT
• Appendix:
  • FAQs, limitations and bug report
• About us and Charts for download/citation count

Hot Topics

Install from conda

How to perform GKS-EDA/SAPT     How to transfer MOs    

News

50 citations     2000 downloads on anaconda     Release v1.2.6

Tips

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