Minor tweaks to docs; fixed typo and capitalization to be consistent

This commit is contained in:
Karl Hammond
2022-08-15 21:11:58 -05:00
parent 7d35757438
commit 8b181ed58a
3 changed files with 15 additions and 15 deletions

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@ -81,7 +81,7 @@ the optional logical argument set to ``.true.``. Here is a simple example:
It is also possible to pass command line flags from Fortran to C/C++ and
thus make the resulting executable behave similarly to the standalone
executable (it will ignore the `-in/-i` flag, though). This allows to
executable (it will ignore the `-in/-i` flag, though). This allows one to
use the command line to configure accelerator and suffix settings,
configure screen and logfile output, or to set index style variables
from the command line and more. Here is a correspondingly adapted
@ -207,7 +207,7 @@ of the contents of the ``LIBLAMMPS`` Fortran interface to LAMMPS.
If *comm* is not provided, ``MPI_COMM_WORLD`` is assumed. For
more details please see the documentation of :cpp:func:`lammps_open`.
:o character(len=*) args(*) [optional]: arguments as list of strings
:o character(len=\*) args(\*) [optional]: arguments as list of strings
:o integer comm [optional]: MPI communicator
:r lammps: an instance of the :f:type:`lammps` derived type
@ -256,7 +256,7 @@ Procedures Bound to the lammps Derived Type
This method will call :cpp:func:`lammps_file` to have LAMMPS read
and process commands from a file.
:p character(len=*) filename: name of file with LAMMPS commands
:p character(len=\*) filename: name of file with LAMMPS commands
--------
@ -265,7 +265,7 @@ Procedures Bound to the lammps Derived Type
This method will call :cpp:func:`lammps_command` to have LAMMPS
execute a single command.
:p character(len=*) cmd: single LAMMPS command
:p character(len=\*) cmd: single LAMMPS command
--------
@ -274,7 +274,7 @@ Procedures Bound to the lammps Derived Type
This method will call :cpp:func:`lammps_commands_list` to have LAMMPS
execute a list of input lines.
:p character(len=*) cmd(:): list of LAMMPS input lines
:p character(len=\*) cmd(:): list of LAMMPS input lines
--------
@ -283,7 +283,7 @@ Procedures Bound to the lammps Derived Type
This method will call :cpp:func:`lammps_commands_string` to have LAMMPS
execute a block of commands from a string.
:p character(len=*) str: LAMMPS input in string
:p character(len=\*) str: LAMMPS input in string
--------
@ -301,12 +301,12 @@ Procedures Bound to the lammps Derived Type
This function will call :cpp:func:`lammps_get_thermo` and return the value
of the corresponding thermodynamic keyword.
:p character(len=*) name: string with the name of the thermo keyword
:p character(len=\*) name: string with the name of the thermo keyword
:r real(C_double): value of the requested thermo property or 0.0_C_double
--------
.. f:subroutine:: extract_box([boxlo][, boxhi][, xy][, yz][, xz][, pflag]s[, boxflag])
.. f:subroutine:: extract_box([boxlo][, boxhi][, xy][, yz][, xz][, pflags][, boxflag])
This subroutine will call :cpp:func:`lammps_extract_box`. All parameters
are optional, though obviously at least one should be present. The
@ -407,7 +407,7 @@ Procedures Bound to the lammps Derived Type
Query LAMMPS about global settings. See the documentation for the
:c:func:`lammps_extract_setting` function from the C library.
:p character(len=*) keyword: string containing the name of the thermo keyword
:p character(len=\*) keyword: string containing the name of the thermo keyword
:r integer(c_int): value of the queried setting or :math:`-1` if unknown
--------
@ -463,7 +463,7 @@ Procedures Bound to the lammps Derived Type
too short, the string will be truncated. As usual in Fortran, strings
are padded with spaces at the end.
:p character(len=*) name: string with the name of the extracted property
:p character(len=\*) name: string with the name of the extracted property
:r polymorphic: pointer to LAMMPS data. The left-hand side of the assignment
should be either a string (if expecting string data) or a C-interoperable
pointer (e.g., ``INTEGER (c_int), POINTER :: nlocal``) to the extracted

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@ -3,9 +3,9 @@ and allows the LAMMPS library interface to be invoked from Fortran codes.
It requires a Fortran compiler that supports the Fortran 2003 standard.
This interface is based on and supersedes the previous Fortran interfaces
in the examples/COUPLE/fortran* folders. But is fully supported by the
in the examples/COUPLE/fortran* folders, but is fully supported by the
LAMMPS developers and included in the documentation and unit testing.
Details on this Fortran interface and how to build programs using it
are in the manual in the doc/html/pg_fortran.html file.
are in the manual in the doc/html/Fortran.html file.

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@ -123,7 +123,7 @@ MODULE LIBLAMMPS
IMPLICIT NONE
INTEGER(c_int), VALUE, INTENT(IN) :: argc
TYPE(c_ptr), DIMENSION(*), INTENT(IN) :: argv
TYPE(c_ptr), VALUE, INTENT(in) :: handle
TYPE(c_ptr), VALUE, INTENT(IN) :: handle
TYPE(c_ptr) :: lammps_open_no_mpi
END FUNCTION lammps_open_no_mpi
@ -364,7 +364,7 @@ CONTAINS
! Constructor for the LAMMPS class.
! Combined wrapper around lammps_open_fortran() and lammps_open_no_mpi()
TYPE(lammps) FUNCTION lmp_open(args, comm)
INTEGER, INTENT(in), OPTIONAL :: comm
INTEGER, INTENT(IN), OPTIONAL :: comm
CHARACTER(LEN=*), INTENT(IN), OPTIONAL :: args(:)
TYPE(c_ptr), ALLOCATABLE :: argv(:)
INTEGER(c_int) :: i, c_comm, argc
@ -436,7 +436,7 @@ CONTAINS
! equivalent function to lammps_commands_list()
SUBROUTINE lmp_commands_list(self, cmds)
CLASS(lammps) :: self
CHARACTER(len=*), INTENT(in), OPTIONAL :: cmds(:)
CHARACTER(LEN=*), INTENT(IN), OPTIONAL :: cmds(:)
TYPE(c_ptr), ALLOCATABLE :: cmdv(:)
INTEGER :: i, ncmd