diff --git a/doc/src/Fortran.rst b/doc/src/Fortran.rst index 348d7ce248..4d3f270513 100644 --- a/doc/src/Fortran.rst +++ b/doc/src/Fortran.rst @@ -1,7 +1,7 @@ -The ``LIBLAMMPS`` Fortran Module -******************************** +The :f:mod:`LIBLAMMPS` Fortran Module +************************************* -The ``LIBLAMMPS`` module provides an interface to call LAMMPS from Fortran. +The :f:mod:`LIBLAMMPS` module provides an interface to call LAMMPS from Fortran. It is based on the LAMMPS C library interface and requires a Fortran 2003-compatible compiler to be compiled. It is designed to be self-contained and not require any support functions @@ -31,7 +31,7 @@ If the LAMMPS library itself has been compiled with MPI support, the resulting executable will still be able to run LAMMPS in parallel with ``mpirun``, ``mpiexec`` or equivalent. Please also note that the order of the source files matters: the ``lammps.f90`` file needs to be -compiled first, since it provides the ``LIBLAMMPS`` module that is +compiled first, since it provides the :f:mod:`LIBLAMMPS` module that is imported by the Fortran code that uses the interface. A working example can be found together with equivalent examples in C and C++ in the ``examples/COUPLE/simple`` folder of the LAMMPS distribution. @@ -227,13 +227,11 @@ Below is an example demonstrating some of the possible uses. --------------- -The ``LIBLAMMPS`` module API -**************************** - -**Module** :f:mod:`LIBLAMMPS` +The :f:mod:`LIBLAMMPS` module API +********************************* Below are the detailed descriptions of definitions and interfaces -of the contents of the ``LIBLAMMPS`` Fortran interface to LAMMPS. +of the contents of the :f:mod:`LIBLAMMPS` Fortran interface to LAMMPS. .. f:type:: lammps @@ -401,8 +399,8 @@ of the contents of the ``LIBLAMMPS`` Fortran interface to LAMMPS. ``lmp%type%array``. These values are identical to the values described in :cpp:enum:`_LMP_TYPE_CONST` for the C library interface. -Procedures Bound to the lammps Derived Type -=========================================== +Procedures Bound to the :f:type:`lammps` Derived Type +===================================================== .. f:subroutine:: close([finalize]) @@ -1338,7 +1336,7 @@ Procedures Bound to the lammps Derived Type have either the same length as *ids* (for *mask*, *type*, etc.) or three times its length (for *x*, *f*, etc.); the array must be rank 1 and be of type ``INTEGER(c_int)`` (e.g., for *mask* or *type*) or of type - ``REAL(c_double)`` (e.g., *charge*, *x*, or *f*). + ``REAL(c_double)`` (e.g., for *charge*, *x*, or *f*). -------- @@ -1576,8 +1574,8 @@ Procedures Bound to the lammps Derived Type string in the vector *package* (default: 31). :p character(len=:) package [dimension(:),allocatable]: list of packages; - *must* have the ``ALLOCATABLE`` attribute and be of rank-1 - (``DIMENSION(:)``) with allocatable length. + *must* have the ``ALLOCATABLE`` attribute and be of rank 1 + (i.e., ``DIMENSION(:)``) with allocatable length. :o integer length [optional]: length of each string in the list. Default: 31. @@ -1618,7 +1616,7 @@ Procedures Bound to the lammps Derived Type More detailed information about the available device or devices can be obtained by calling the - :cpp:func:`lammps_get_gpu_device_info` function. + :f:subr:`get_gpu_device_info` subroutine. :r logical: ``.TRUE.`` if a viable device is available, ``.FALSE.`` if not.