Gromacs  2025-dev-20240412-700e594
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File List
Here is a list of all documented files with brief descriptions:
[detail level 12345678]
o-api
|\-legacy
| \+include
o-docsBuild system and source code for various documentation items
|\-doxygenDoxygen build system and general documentation content
| o*directories.cppDoxygen documentation file for directories in the source tree
| \*misc.cppDoxygen documentation file for group declarations etc
o-shareDirectory that contains installed data files
|\-templateTemplate code for writing analysis programs
| \*template.cppTemplate code for writing analysis programs
\-srcMain source code directory
 o-gromacsSource code for building the libgromacs library
 |o+analysisdataParallelizable Handling of Output Data (analysisdata)
 |o+applied_forces
 |o+commandlineCommand Line Program Management (commandline)
 |o+compatC++ standard library compatibility helpers.
 |o+coordinateio
 |o+correlationfunctions
 |o+domdec
 |o+energyanalysis
 |o+essentialdynamics
 |o+ewald
 |o+fft
 |o+fileio
 |o+gmxana
 |o+gmxlib
 |o+gmxpreprocess
 |o+gpu_utils
 |o+hardware
 |o+imd
 |o+linearalgebra
 |o+listed_forces
 |o+math
 |o+mdlib
 |o+mdrun
 |o+mdrunutility
 |o+mdspan
 |o+mdtypes
 |o+mimic
 |o+modularsimulator
 |o+nbnxm
 |o+onlinehelpHelp Formatting for Online Help (onlinehelp)
 |o+optionsExtensible Handling of Options (options)
 |o+pbcutil
 |o+pulling
 |o+random
 |o+restraint
 |o+selectionParsing and Evaluation of Analysis Selections (selection)
 |o+simdSIMD intrinsics interface (simd)
 |o+statistics
 |o+swap
 |o+tables
 |o+taskassignment
 |o+timing
 |o+tools
 |o+topology
 |o+trajectory
 |o+trajectoryanalysisFramework for Trajectory Analysis (trajectoryanalysis)
 |o+utilityLow-Level Utilities (utility)
 |o*onlinehelp_doc.hDummy header for Help Formatting for Online Help (onlinehelp) documentation
 |\*utility.hPublic API convenience header for low-level utilities
 o-include
 |\*gmxpre.hPrerequisite header file for GROMACS build
 o-programsSource code for building executables, see Wrapper binary implementation
 |\+mdrunSource code specific to mdrun
 \-testutilsTesting Utilities (testutils)
  o+include
  o+testsUnit tests for Testing Utilities (testutils)
  o*cmdlinetest.cppImplements classes from cmdlinetest.h
  o*conftest.cppImplements routine to check the content of conf files
  o*filematchers.cppImplements classes from filematchers.h
  o*interactivetest.cppImplements classes from interactivetest.h
  o*loggertest.cppImplements gmx::test::LoggerTestHelper
  o*mpi_printer.hDeclares gmx::test::initMPIOutput()
  o*mpitest.cppImplements functions in mpitest.h
  o*refdata.cppImplements classes and functions from refdata.h
  o*refdata_checkers.hDeclares internal helper classes for the reference data framework to check reference data values of different types
  o*refdata_impl.hDeclares internal data structures for the reference data framework
  o*refdata_xml.cppImplements reference data XML persistence
  o*refdata_xml.hDeclares functions for reference data XML persistence
  o*simulationdatabase.cppImplements declarations from in simulationdatabase.h
  o*stdiohelper.cppImplements classes in stdiohelper.h
  o*stringtest.cppImplements gmx::test::StringTestBase
  o*test_device.cppImplements test environment class which performs hardware enumeration for unit tests
  o*test_hardware_environment.cppImplements test environment class which performs hardware enumeration for unit tests
  o*testasserts.cppImplements floating-point comparison routines from testasserts.h
  o*testfilemanager.cppImplements gmx::test::TestFileManager
  o*testfileredirector.cppImplements classes from testfileredirector.h
  o*testinit.cppImplements functions in testinit.h
  o*testmatchers.cppImplements floating-point matchers from testmatchers.h for use with Google Mock
  o*testoptions.cppImplements functions in testoptions.h
  o*testutils_doc.hDummy header for Testing Utilities (testutils) documentation
  o*textblockmatchers.cppImplements classes from textblockmatchers.h
  o*topologyhelpers.cppHelper functions for topology generation
  o*topologyhelpers.hHelper functions to create test topologies
  o*tprfilegenerator.cppImplements helper for generating reusuable TPR files for tests within the same test binary
  o*trajectoryreader.cppImplementions of related classes for tests that want to inspect trajectories produced by mdrun
  o*unittest_main.cppMain() for unit tests that use Testing Utilities (testutils)
  \*xvgtest.cppImplements routine to check the content of xvg files