Skip to content

atulcthakur/CPP-Tools

Folders and files

NameName
Last commit message
Last commit date

Latest commit

 

History

8 Commits
 
 
 
 
 
 
 
 

Repository files navigation

A few C++ codes for analyzing Molecular Dynamics Trajectories (Mostly xyz files).

  • MSDBlock.cpp - OpenMP parallized Mean Squared Displacement (MSD) calculation code. Computes Errors using Block Averaging.

  • DipoleDensity.cpp - Computes Dipole Density Correlation in k-space.

  • gropenmp.cpp - Radial Distribution Function Calculation Parallized with OpenMP Pragma Directives

About

Some C++ Tools For Analysis of MD Trajectories

Resources

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published

Languages