utilities
0.0
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This library consists of various utilities needed for Molpro and its libraries:
molpro/iostream.h
which contains definitions of molpro::cout
and molpro::stderr
which should be used in any library used in Molpro instead of std::cout
and std::cerr
. By default, they are simply an alias for the std::
streams, but clients of the library can then, if desired, redirect by defining EXTERN_OSTREAM_COUT
as the desired extern std::ostream&
.molpro/mpi.h
which provides functions that return the global and self communicators. These work when there is no MPI support compiled, and when running under Global Arrays or PPIDD, where MPI_COMM_WORLD is not the appropriate global communicator.molpro/Options.h
which provides a class that manages input options. In the Molpro context, these are input parameters; elsewhere, they can be injected from a Fortran namelist.Documentation is installed at molpro.github.io/utilities