Gromacs
2022.2
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Directories | |
directory | tests |
Unit tests for Low-Level Utilities (utility). | |
Files | |
file | alignedallocator.cpp |
Implements AlignedAllocator. | |
file | alignedallocator.h |
Declares allocation policy classes and allocators that are used to make library containers compatible with alignment requirements of particular hardware, e.g. memory operations for SIMD or accelerators. | |
file | allocator.h |
Declares gmx::Allocator template whose allocation functionality is configured both by type of object allocated and a policy class that configures the necessary matching malloc and free operation. | |
file | any.cpp |
Implements functionality from any.h. | |
file | any.h |
Declares gmx::Any. | |
file | arraysize.h |
Provides asize() function for calculating the static size of an array at compile time. | |
file | basenetwork.cpp |
file | basenetwork.h |
Utility functions for basic MPI and network functionality. | |
file | baseversion.cpp |
file | baseversion.h |
Declares functions to get basic version information. | |
file | baseversion_gen.h |
Declares variables that hold generated version information. | |
file | binaryinformation.cpp |
Implements functionality for printing information about the currently running binary. | |
file | binaryinformation.h |
Helper functionality for information about the currently running binary. | |
file | bitmask.h |
Declares gmx_bitmask_t and associated functions. | |
file | classhelpers.h |
Declares common utility classes and macros. | |
file | compare.cpp |
file | compare.h |
Utilities for comparing data structures (for gmx check). | |
file | coolstuff.cpp |
Functionality for printing cool strings. | |
file | coolstuff.h |
Functionality for printing cool strings. | |
file | cstringutil.cpp |
file | cstringutil.h |
Generic C string handling functions. | |
file | cuda_version_information.h |
file | datafilefinder.cpp |
Implements gmx::DataFileFinder. | |
file | datafilefinder.h |
Declares gmx::DataFileFinder and related classes. | |
file | defaultinitializationallocator.h |
Declares an allocator that can use default initialization instead of values initialization. This is useful for improving performance of resize() in standard vectors for buffers in performance critical code. | |
file | dir_separator.h |
Provides OS-specific directory-name separator. | |
file | directoryenumerator.cpp |
Implements gmx::DirectoryEnumerator. | |
file | directoryenumerator.h |
Declares gmx::DirectoryEnumerator. | |
file | enumerationhelpers.h |
Defines helper types for class enumerations. | |
file | errorcodes.cpp |
Implements functions in errorcodes.h. | |
file | errorcodes.h |
Declares error codes and related functions for fatal error handling. | |
file | errorformat.cpp |
Implements functions declared in errorformat.h. | |
file | errorformat.h |
Declares an internal helper function for formatting standard error messages. | |
file | exceptions.cpp |
Implements classes and functions in exceptions.h. | |
file | fatalerror.cpp |
file | fatalerror.h |
Declares fatal error handling and debugging routines for C code. | |
file | fileptr.h |
Declares guard pointer for RAII-style handling of cstdio FILE pointers. | |
file | fileredirector.cpp |
Implements classes and functions from fileredirector.h. | |
file | fileredirector.h |
Declares gmx::IFileOutputRedirector. | |
file | filestream.cpp |
Implements classes from filestream.h. | |
file | filestream.h |
Declares implementations for textstream.h interfaces for file input/output. | |
file | fixedcapacityvector.h |
Declares gmx::FixedCapacityVector. | |
file | flags.h |
Declares gmx::FlagsTemplate. | |
file | futil.cpp |
file | futil.h |
Low-level wrappers for OS-specific file handling with some GROMACS customizations. | |
file | gmxassert.cpp |
Implements assertion handlers. | |
file | gmxmpi.h |
Wraps mpi.h usage in Gromacs. | |
file | gmxomp.cpp |
Implements functions from gmxomp.h. | |
file | gmxomp.h |
Declares OpenMP wrappers to avoid conditional compilation. | |
file | ikeyvaluetreeerror.cpp |
file | ikeyvaluetreeerror.h |
Declares an error handling interface for key-value tree operations. | |
file | init.cpp |
Implements functions from init.h. | |
file | init.h |
Declares functions for initializing the GROMACS library. | |
file | inmemoryserializer.cpp |
Defines gmx::ISerializer implementation for in-memory serialization. | |
file | inmemoryserializer.h |
Declares gmx::ISerializer implementation for in-memory serialization. | |
file | int64_to_int.cpp |
file | int64_to_int.h |
Low-level utility for converting 64 bit int to int (the size of which is hardware dependent), printing a warning if an overflow will occur. | |
file | iserializer.h |
Declares a generic serialization interface that supports both directions. | |
file | keyvaluetree.cpp |
file | keyvaluetree.h |
Declares a data structure for JSON-like structured key-value mapping. | |
file | keyvaluetreebuilder.h |
Declares classes for building the data structures in keyvaluetree.h. | |
file | keyvaluetreemdpwriter.cpp |
Defines a function to write a flat key-value tree to look like old-style mdp output. | |
file | keyvaluetreemdpwriter.h |
Declares a function to write a flat key-value tree to look like old-style mdp output. | |
file | keyvaluetreeserializer.cpp |
file | keyvaluetreeserializer.h |
Declares serialization routines for KeyValueTree objects. | |
file | keyvaluetreetransform.cpp |
file | keyvaluetreetransform.h |
Declares utilities for transforming key-value trees. | |
file | logger.cpp |
file | logger.h |
Declares functionality for logging. | |
file | loggerbuilder.cpp |
file | loggerbuilder.h |
Declares functionality for initializing logging. | |
file | mdmodulesnotifier.h |
Declares gmx::MDModulesNotifier and builder. | |
file | mdmodulesnotifiers.h |
Declares gmx::MDModulesNotifiers. | |
file | mpiinfo.cpp |
file | mpiinfo.h |
file | niceheader.cpp |
Implements functions from niceheader.h. | |
file | niceheader.h |
Declares function for printing a nice header for text output files. | |
file | nodelete.h |
Declares no_delete deleter for std::shared_ptr. | |
file | path.cpp |
Implements functions in path.h. | |
file | path.h |
Declares functions for OS-independent path handling. | |
file | physicalnodecommunicator.cpp |
Defines functionality for communicators across physical nodes. | |
file | physicalnodecommunicator.h |
Declares functionality for communicators across physical nodes. | |
file | pleasecite.cpp |
file | pleasecite.h |
Declares please_cite() for printing out literature references. Declares writeSourceDoi for printing of source code DOI. | |
file | programcontext.cpp |
Implements gmx::IProgramContext and related methods. | |
file | programcontext.h |
Declares gmx::IProgramContext and related methods. | |
file | range.h |
Declares gmx::Range. | |
file | smalloc.cpp |
file | smalloc.h |
C-style memory allocation routines for GROMACS. | |
file | snprintf.h |
Provide snprintf symbol on all OS (for internal Gromacs use) | |
file | strconvert.cpp |
Implements functions in strconvert.h. | |
file | strconvert.h |
Declares common utility functions for conversions to and from strings. | |
file | strdb.cpp |
file | strdb.h |
Declares C functions for reading files with a list of strings. | |
file | stringcompare.h |
Declares utility functionst for string comparison. | |
file | stringstream.cpp |
Implements classes from stringstream.h. | |
file | stringstream.h |
Declares implementations for textstream.h interfaces for input/output to in-memory strings. | |
file | stringtoenumvalueconverter.h |
Defines helper function object for class enumerations. | |
file | stringutil.cpp |
Implements functions and classes in stringutil.h. | |
file | stringutil.h |
Declares common string utility and formatting routines. | |
file | sycl_version_information.cpp |
file | sycl_version_information.h |
file | sysinfo.cpp |
Implements functions from sysinfo.h. | |
file | sysinfo.h |
Declares functions that wrap platform-specific calls for obtaining information about the operating environment and the current process. | |
file | template_mp.h |
Declares utilities for template metaprogramming. | |
file | textreader.cpp |
Implements gmx::TextReader. | |
file | textreader.h |
Declares gmx::TextReader. | |
file | textstream.h |
Declares interfaces for simple input/output streams. | |
file | textwriter.cpp |
Implements gmx::TextWriter. | |
file | textwriter.h |
Declares gmx::TextWriter. | |
file | txtdump.cpp |
file | txtdump.h |
Declares helper functions for dumping basic data structures as text. | |
file | typetraits.h |
Declares type traits. | |
file | unique_cptr.h |
Declares gmx::unique_cptr and gmx::sfree_guard. | |