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Tweaks to Fortran docs

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This commit is contained in:
Karl Hammond
2022-10-21 00:34:24 -05:00
parent 7ce04c8fe1
commit b6287a0fe6
1 changed files with 13 additions and 15 deletions
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doc/src/Fortran.rst
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@ -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.