Gromacs
2025.0-dev-20241011-013a99c
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Files | |
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.h |
Declares gmx::Any. | |
file | arraysize.h |
Provides asize() function for calculating the static size of an array at compile time. | |
file | basenetwork.h |
Utility functions for basic MPI and network functionality. | |
file | binaryinformation.h |
Helper functionality for information about the currently running binary. | |
file | bitmask.h |
Declares gmx_bitmask_t and associated functions. | |
file | booltype.h |
Define a boolean datatype that can be stored in a std::vector and have a view on it. | |
file | compare.h |
Utilities for comparing data structures (for gmx check). | |
file | coolstuff.h |
Functionality for printing cool strings. | |
file | cstringutil.h |
Generic C string handling functions. | |
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 | directoryenumerator.h |
Declares gmx::DirectoryEnumerator. | |
file | fatalerror.h |
Declares fatal error handling and debugging routines for C code. | |
file | fileredirector.h |
Declares gmx::IFileOutputRedirector. | |
file | filestream.h |
Declares implementations for textstream.h interfaces for file input/output. | |
file | fixedcapacityvector.h |
Declares gmx::FixedCapacityVector. | |
file | gmxmpi.h |
Wraps mpi.h usage in Gromacs. | |
file | gmxomp.h |
Declares OpenMP wrappers to avoid conditional compilation. | |
file | ikeyvaluetreeerror.h |
Declares an error handling interface for key-value tree operations. | |
file | init.h |
Declares functions for initializing the GROMACS library. | |
file | inmemoryserializer.h |
Declares gmx::ISerializer implementation for in-memory serialization. | |
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.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.h |
Declares a function to write a flat key-value tree to look like old-style mdp output. | |
file | keyvaluetreeserializer.h |
Declares serialization routines for KeyValueTree objects. | |
file | keyvaluetreetransform.h |
Declares utilities for transforming key-value trees. | |
file | logger.h |
Declares functionality for logging. | |
file | loggerbuilder.h |
Declares functionality for initializing logging. | |
file | mpiinfo.h |
file | niceheader.h |
Declares function for printing a nice header for text output files. | |
file | path.h |
Declares functions for OS-independent path handling. | |
file | physicalnodecommunicator.h |
Declares functionality for communicators across physical nodes. | |
file | snprintf.h |
Provide snprintf symbol on all OS (for internal Gromacs use) | |
file | strconvert.h |
Declares common utility functions for conversions to and from strings. | |
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.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 | 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.h |
Declares gmx::TextReader. | |
file | textstream.h |
Declares interfaces for simple input/output streams. | |
file | textwriter.h |
Declares gmx::TextWriter. | |
file | txtdump.h |
Declares helper functions for dumping basic data structures as text. | |
file | typetraits.h |
Declares type traits. | |