C++ API

Public C++ application programming interfaces are available for GROMACS installations depending on the detected environment and user options when the GROMACS build is configured with CMake.

• Public C++ API

  • CMake target Gromacs::gmxapi, enabled by GMXAPI (default, when BUILD_SHARED_LIBS on non-Windows platforms), provides gmxapi/ headers and ::gmxapi C++ namespace.

  • CMake target Gromacs::libgromacs, enabled by GMX_INSTALL_LEGACY_API (default OFF), provides gromacs/ headers and ::gmx C++ namespace.

• (Non-)Bonded LIBrary (NB-LIB) API: Enabled by GMX_INSTALL_NBLIB_API. (default, when BUILD_SHARED_LIBS on non-Windows platforms)

• Legacy API: Enabled by GMX_INSTALL_LEGACY_API. (default OFF)