PYGAMD
stable

General introduction

  • Introduction
  • Installation
  • Usage
  • Units

Modules (NUMBA)

  • System info
  • Application
  • Force field
    • Non-bonded interactions
    • Bonded interactions
  • Integration
  • Modules

Modules (CUDA)

  • Data
  • System
  • Application
  • Force field
  • Integration
  • Constraint
  • External field
  • Modules

Plug-Ins

  • molgen
  • dataTackle

Announcement

  • License
PYGAMD
  • Force field
  • Edit on GitHub

Force field

  • Non-bonded interactions
    • Non-bonded functions
      • force.nonbonded
    • Self-defined functions
    • Non-bonded functions for charged beads
      • force.nonbonded_c
    • Self-defined functions for charged beads
  • Bonded interactions
    • Bond interactions
      • Bond functions
      • Self-defined bond functions
    • Angle bending
      • Angle functions
      • Self-defined bond functions
    • Dihedral torsion
      • Dihedral functions
      • Self-defined bond functions
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© Copyright 2021-2022, You-Liang Zhu and Zhong-Yuan Lu, ylzhu@pygamd.com. Revision 05e7da44.

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