Skip to content

[Enhancement]: Add validation MPI parallel computing  #42

@Cavey-QW

Description

@Cavey-QW
  1. Issue description
    Add validation MPI parallel computing ;
    such as fix_stake, AngleForce, BondForce, DihedralsForce, SpecialCoulForce, etc.

  2. Solution
    (1) boundary conditions
    Importing external files will result in negative to positive boundary conditions, which have not yet been processed in the current parallel code block
    (2) molecule will be cut
    Different atoms of the same molecule will be cut into different processes, affecting the calculation of bond forces and wrestling

Metadata

Metadata

Assignees

Labels

EnhancementSomething need to improve

Projects

Status

In Progress

Milestone

No milestone

Relationships

None yet

Development

No branches or pull requests

Issue actions