Gromacs  2024.3
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gromacs Directory Reference
+ Directory dependency graph for gromacs:

Description

Source code for building the libgromacs library.

Directories

directory  analysisdata
 Parallelizable Handling of Output Data (analysisdata)
 
directory  applied_forces
 
directory  commandline
 Command Line Program Management (commandline)
 
directory  compat
 C++ standard library compatibility helpers.
 
directory  coordinateio
 
directory  correlationfunctions
 
directory  domdec
 
directory  energyanalysis
 
directory  essentialdynamics
 
directory  ewald
 
directory  fft
 
directory  fileio
 
directory  gmxana
 
directory  gmxlib
 
directory  gmxpreprocess
 
directory  gpu_utils
 
directory  hardware
 
directory  imd
 
directory  linearalgebra
 
directory  listed_forces
 
directory  math
 
directory  mdlib
 
directory  mdrun
 
directory  mdrunutility
 
directory  mdspan
 
directory  mdtypes
 
directory  mimic
 
directory  modularsimulator
 
directory  nbnxm
 
directory  onlinehelp
 Help Formatting for Online Help (onlinehelp)
 
directory  options
 Extensible Handling of Options (options)
 
directory  pbcutil
 
directory  pulling
 
directory  random
 
directory  restraint
 
directory  selection
 Parsing and Evaluation of Analysis Selections (selection)
 
directory  simd
 SIMD intrinsics interface (simd)
 
directory  statistics
 
directory  swap
 
directory  tables
 
directory  taskassignment
 
directory  timing
 
directory  tools
 
directory  topology
 
directory  trajectory
 
directory  trajectoryanalysis
 Framework for Trajectory Analysis (trajectoryanalysis)
 
directory  utility
 Low-Level Utilities (utility)
 

Files

file  onlinehelp_doc.h
 Dummy header for Help Formatting for Online Help (onlinehelp) documentation.
 
file  utility.h
 Public API convenience header for low-level utilities.