Fixed spacing on type lammps fields
This commit is contained in:
@ -230,67 +230,121 @@ Below is an example demonstrating some of the possible uses.
|
||||
The ``LIBLAMMPS`` module API
|
||||
****************************
|
||||
|
||||
**Module** :f:mod:`LIBLAMMPS`
|
||||
|
||||
Below are the detailed descriptions of definitions and interfaces
|
||||
of the contents of the ``LIBLAMMPS`` Fortran interface to LAMMPS.
|
||||
|
||||
.. f:type:: lammps
|
||||
|
||||
Derived type that is the general class of the Fortran interface. It
|
||||
holds a reference to the :cpp:class:`LAMMPS <LAMMPS_NS::LAMMPS>`
|
||||
class instance that any of the included calls are forwarded to.
|
||||
Derived type that is the general class of the Fortran interface.
|
||||
It holds a reference to the :cpp:class:`LAMMPS <LAMMPS_NS::LAMMPS>`
|
||||
class instance to which any of the included calls are forwarded.
|
||||
|
||||
:f c_ptr handle: reference to the LAMMPS class
|
||||
:f type(lammps_style) style: derived type to access lammps style constants
|
||||
:f type(lammps_type) type: derived type to access lammps type constants
|
||||
:f subroutine close: :f:func:`close`
|
||||
:f subroutine error: :f:func:`error`
|
||||
:f subroutine file: :f:func:`file`
|
||||
:f subroutine command: :f:func:`command`
|
||||
:f subroutine commands_list: :f:func:`commands_list`
|
||||
:f subroutine commands_string: :f:func:`commands_string`
|
||||
:f function get_natoms: :f:func:`get_natoms`
|
||||
:f function get_thermo: :f:func:`get_thermo`
|
||||
:f subroutine extract_box: :f:func:`extract_box`
|
||||
:f subroutine reset_box: :f:func:`reset_box`
|
||||
:f subroutine memory_usage: :f:func:`memory_usage`
|
||||
:f function get_mpi_comm: :f:func:`get_mpi_comm`
|
||||
:f function extract_setting: :f:func:`extract_setting`
|
||||
:f function extract_global: :f:func:`extract_global`
|
||||
:f handle: reference to the LAMMPS class
|
||||
:ftype handle: c_ptr
|
||||
:f style: derived type to access lammps style constants
|
||||
:ftype style: type(lammps_style)
|
||||
:f type: derived type to access lammps type constants
|
||||
:ftype type: type(lammps_type)
|
||||
:f close: :f:subr:`close`
|
||||
:ftype close: subroutine
|
||||
:f subroutine error: :f:subr:`error`
|
||||
:ftype error: subroutine
|
||||
:f file: :f:subr:`file`
|
||||
:ftype file: subroutine
|
||||
:f command: :f:subr:`command`
|
||||
:ftype command: subroutine
|
||||
:f commands_list: :f:subr:`commands_list`
|
||||
:ftype commands_list: subroutine
|
||||
:f commands_string: :f:subr:`commands_string`
|
||||
:ftype commands_string: subroutine
|
||||
:f get_natoms: :f:func:`get_natoms`
|
||||
:ftype get_natoms: function
|
||||
:f get_thermo: :f:func:`get_thermo`
|
||||
:ftype get_thermo: function
|
||||
:f extract_box: :f:subr:`extract_box`
|
||||
:ftype extract_box: subroutine
|
||||
:f reset_box: :f:subr:`reset_box`
|
||||
:ftype reset_box: subroutine
|
||||
:f memory_usage: :f:subr:`memory_usage`
|
||||
:ftype memory_usage: subroutine
|
||||
:f get_mpi_comm: :f:func:`get_mpi_comm`
|
||||
:ftype get_mpi_comm: function
|
||||
:f extract_setting: :f:func:`extract_setting`
|
||||
:ftype extract_setting: function
|
||||
:f extract_global: :f:func:`extract_global`
|
||||
:ftype extract_global: function
|
||||
:f function extract_atom: :f:func:`extract_atom`
|
||||
:f function extract_compute: :f:func:`extract_compute`
|
||||
:f function extract_fix: :f:func:`extract_fix`
|
||||
:f function extract_variable: :f:func:`extract_variable`
|
||||
:f subroutine gather_atoms: :f:func:`gather_atoms`
|
||||
:f subroutine gather_atoms_concat: :f:func:`gather_atoms_concat`
|
||||
:f subroutine gather_atoms_subset: :f:func:`gather_atoms_subset`
|
||||
:f subroutine scatter_atoms: :f:func:`scatter_atoms`
|
||||
:f subroutine scatter_atoms_subset: :f:func:`scatter_atoms_subset`
|
||||
:f subroutine create_atoms: :f:func:`create_atoms`
|
||||
:f function version: :f:func:`version`
|
||||
:f subroutine get_os_info: :f:func:`get_os_info`
|
||||
:f function config_has_mpi_support: :f:func:`config_has_mpi_support`
|
||||
:f function config_has_gzip_support: :f:func:`config_has_gzip_support`
|
||||
:f function config_has_png_support: :f:func:`config_has_png_support`
|
||||
:f function config_has_jpeg_support: :f:func:`config_has_jpeg_support`
|
||||
:f function config_has_ffmpeg_support: :f:func:`config_has_ffmpeg_support`
|
||||
:f function config_has_exceptions: :f:func:`config_has_exceptions`
|
||||
:f function config_has_package: :f:func:`config_has_package`
|
||||
:f function config_package_count: :f:func:`config_package_count`
|
||||
:f function config_package_name: :f:func:`config_package_name`
|
||||
:f subroutine installed_packages: :f:func:`installed_packages`
|
||||
:f function config_accelerator: :f:func:`config_accelerator`
|
||||
:f function has_gpu_device: :f:func:`has_gpu_device`
|
||||
:f subroutine get_gpu_device_info: :f:func:`get_gpu_device_info`
|
||||
:f function has_style: :f:func:`has_style`
|
||||
:f function style_count: :f:func:`style_count`
|
||||
:f function style_name: :f:func:`style_name`
|
||||
:f function encode_image_flags: :f:func:`encode_image_flags`
|
||||
:f subroutine decode_image_flags: :f:func:`decode_image_flags`
|
||||
:f subroutine flush_buffers: :f:func:`flush_buffers`
|
||||
:f function is_running: :f:func:`is_running`
|
||||
:f function force_timeout: :f:func:`force_timeout`
|
||||
:f function has_error: :f:func:`has_error`
|
||||
:f subroutine get_last_error_message: :f:func:`get_last_error_message`
|
||||
:ftype extract_atom: function
|
||||
:f extract_compute: :f:func:`extract_compute`
|
||||
:ftype extract_compute: function
|
||||
:f extract_fix: :f:func:`extract_fix`
|
||||
:ftype extract_fix: function
|
||||
:f extract_variable: :f:func:`extract_variable`
|
||||
:ftype extract_variable: function
|
||||
:f gather_atoms: :f:subr:`gather_atoms`
|
||||
:ftype gather_atoms: subroutine
|
||||
:f gather_atoms_concat: :f:subr:`gather_atoms_concat`
|
||||
:ftype gather_atoms_concat: subroutine
|
||||
:f gather_atoms_subset: :f:subr:`gather_atoms_subset`
|
||||
:ftype gather_atoms_subset: subroutine
|
||||
:f scatter_atoms: :f:subr:`scatter_atoms`
|
||||
:ftype scatter_atoms: subroutine
|
||||
:f scatter_atoms_subset: :f:subr:`scatter_atoms_subset`
|
||||
:ftype scatter_atoms_subset: subroutine
|
||||
:f create_atoms: :f:subr:`create_atoms`
|
||||
:ftype create_atoms: subroutine
|
||||
:f version: :f:func:`version`
|
||||
:ftype version: function
|
||||
:f get_os_info: :f:subr:`get_os_info`
|
||||
:ftype get_os_info: subroutine
|
||||
:f config_has_mpi_support: :f:func:`config_has_mpi_support`
|
||||
:ftype config_has_mpi_support: function
|
||||
:f config_has_gzip_support: :f:func:`config_has_gzip_support`
|
||||
:ftype config_has_gzip_support: function
|
||||
:f config_has_png_support: :f:func:`config_has_png_support`
|
||||
:ftype config_has_png_support: function
|
||||
:f config_has_jpeg_support: :f:func:`config_has_jpeg_support`
|
||||
:ftype config_has_jpeg_support: function
|
||||
:f config_has_ffmpeg_support: :f:func:`config_has_ffmpeg_support`
|
||||
:ftype config_has_ffmpeg_support: function
|
||||
:f config_has_exceptions: :f:func:`config_has_exceptions`
|
||||
:ftype config_has_exceptions: function
|
||||
:f config_has_package: :f:func:`config_has_package`
|
||||
:ftype config_has_package: function
|
||||
:f config_package_count: :f:func:`config_package_count`
|
||||
:ftype config_package_count: function
|
||||
:f config_package_name: :f:func:`config_package_name`
|
||||
:ftype config_package_name: function
|
||||
:f installed_packages: :f:subr:`installed_packages`
|
||||
:ftype installed_packages: subroutine
|
||||
:f config_accelerator: :f:func:`config_accelerator`
|
||||
:ftype config_accelerator: function
|
||||
:f has_gpu_device: :f:func:`has_gpu_device`
|
||||
:ftype has_gpu_device: function
|
||||
:f get_gpu_device_info: :f:subr:`get_gpu_device_info`
|
||||
:ftype get_gpu_device_info: subroutine
|
||||
:f has_style: :f:func:`has_style`
|
||||
:ftype has_style: function
|
||||
:f style_count: :f:func:`style_count`
|
||||
:ftype style_count: function
|
||||
:f style_name: :f:func:`style_name`
|
||||
:ftype style_name: function
|
||||
:f encode_image_flags: :f:func:`encode_image_flags`
|
||||
:ftype encode_image_flags: function
|
||||
:f decode_image_flags: :f:subr:`decode_image_flags`
|
||||
:ftype decode_image_flags: subroutine
|
||||
:f flush_buffers: :f:subr:`flush_buffers`
|
||||
:ftype flush_buffers: subroutine
|
||||
:f is_running: :f:func:`is_running`
|
||||
:ftype is_running: function
|
||||
:f force_timeout: :f:subr:`force_timeout`
|
||||
:ftype force_timeout: subroutine
|
||||
:f has_error: :f:func:`has_error`
|
||||
:ftype has_error: function
|
||||
:f get_last_error_message: :f:subr:`get_last_error_message`
|
||||
:ftype get_last_error_message: subroutine
|
||||
|
||||
--------
|
||||
|
||||
|
||||
Reference in New Issue
Block a user