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
  • Constraint
    • Variant
    • Space constraint
    • Remove CM momentum
    • Constant chemical potential
    • Bond constraint
    • Virtual site
  • External field
  • Modules

Plug-Ins

  • molgen
  • dataTackle

Announcement

  • License
PYGAMD
  • Constraint
  • Edit on GitHub

Constraint

  • Variant
    • Variant Const
      • VariantConst
    • Variant Linear
      • VariantLinear
    • Variant Sin
      • VariantSin
    • Variant Well
      • VariantWell
  • Space constraint
    • Bounce back condition
      • BounceBackConstrain
    • LJ surface force
      • LJConstrainForce
  • Remove CM momentum
    • ZeroMomentum
    • ZeroMomentum
  • Constant chemical potential
    • CCPMD
      • CCPMD.setWall()
      • CCPMD.setParams()
  • Bond constraint
    • BondConstraint
      • BondConstraint.setParams()
      • BondConstraint.setNumIters()
      • BondConstraint.setExpansionOrder()
  • Virtual site
    • Vsite
      • Vsite.setParams()
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© Copyright 2021-2022, You-Liang Zhu and Zhong-Yuan Lu, ylzhu@pygamd.com. Revision 05e7da44.

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