PYGAMD
stable

General introduction

  • Introduction
  • Installation
  • Usage
  • Units

Modules (NUMBA)

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

Modules (CUDA)

  • Data
  • System
  • Application
  • Force field
  • Integration
    • NVE ensemble
    • NVT ensemble
    • NPT ensemble
  • Constraint
  • External field
  • Modules

Plug-Ins

  • molgen
  • dataTackle

Announcement

  • License
PYGAMD
  • Integration
  • Edit on GitHub

Integration

  • NVE ensemble
    • NVE thermostat
      • NVE
    • NVE for rigid body
      • NVERigid
    • NVE for rigid body with tunable freedoms
      • TranRigid
  • NVT ensemble
    • Nose Hoover thermostat
      • NoseHooverNVT
    • Berendsen thermostat
      • BerendsenNVT
    • Andersen thermostat
      • AndersenNVT
    • Langevin dynamic thermostat
      • LangevinNVT
    • NVT for rigid body
      • NVTRigid
    • Langevin dynamic for rigid body
      • LangevinNVTRigid
  • NPT ensemble
    • Andersen barostat
      • NPT
    • NPT for rigid body
      • NPTRigid
    • Martyna-Tobias-Klein barostat
      • NPTMTK
    • Martyna-Tobias-Klein barostat for rigid body
      • NPTMTKRigid
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© Copyright 2021-2022, You-Liang Zhu and Zhong-Yuan Lu, ylzhu@pygamd.com. Revision 05e7da44.

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