PYGAMD
stable

General introduction

  • Introduction
  • Installation
  • Usage
  • Units

Modules (NUMBA)

  • System info
  • Application
  • Force field
  • Integration
  • Modules

Modules (CUDA)

  • Data
    • Data format
    • Data input
    • Data output
  • System
  • Application
  • Force field
  • Integration
  • Constraint
  • External field
  • Modules

Plug-Ins

  • molgen
  • dataTackle

Announcement

  • License
PYGAMD
  • Data
  • Edit on GitHub

Data

  • Data format
    • XML format
  • Data input
    • Reader
    • XML reader
      • XMLReader
    • Binary reader
      • BinaryReader
  • Data output
    • Common functions for Data output
      • setPrecision()
      • setHead()
    • Collective information
      • DumpInfo
    • MOL2 dump
      • MOL2Dump
    • XML dump
      • XMLDump
      • XMLDump
    • DCD trajectory dump
      • DCDDump
      • DCDDump
    • Binary dump
      • BinaryDump
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© Copyright 2021-2022, You-Liang Zhu and Zhong-Yuan Lu, ylzhu@pygamd.com. Revision 05e7da44.

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