Minor tweaks to docs; fixed typo and capitalization to be consistent
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@ -81,7 +81,7 @@ the optional logical argument set to ``.true.``. Here is a simple example:
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It is also possible to pass command line flags from Fortran to C/C++ and
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thus make the resulting executable behave similarly to the standalone
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executable (it will ignore the `-in/-i` flag, though). This allows to
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executable (it will ignore the `-in/-i` flag, though). This allows one to
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use the command line to configure accelerator and suffix settings,
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configure screen and logfile output, or to set index style variables
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from the command line and more. Here is a correspondingly adapted
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@ -207,7 +207,7 @@ of the contents of the ``LIBLAMMPS`` Fortran interface to LAMMPS.
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If *comm* is not provided, ``MPI_COMM_WORLD`` is assumed. For
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more details please see the documentation of :cpp:func:`lammps_open`.
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:o character(len=*) args(*) [optional]: arguments as list of strings
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:o character(len=\*) args(\*) [optional]: arguments as list of strings
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:o integer comm [optional]: MPI communicator
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:r lammps: an instance of the :f:type:`lammps` derived type
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@ -256,7 +256,7 @@ Procedures Bound to the lammps Derived Type
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This method will call :cpp:func:`lammps_file` to have LAMMPS read
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and process commands from a file.
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:p character(len=*) filename: name of file with LAMMPS commands
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:p character(len=\*) filename: name of file with LAMMPS commands
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--------
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@ -265,7 +265,7 @@ Procedures Bound to the lammps Derived Type
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This method will call :cpp:func:`lammps_command` to have LAMMPS
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execute a single command.
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:p character(len=*) cmd: single LAMMPS command
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:p character(len=\*) cmd: single LAMMPS command
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--------
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@ -274,7 +274,7 @@ Procedures Bound to the lammps Derived Type
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This method will call :cpp:func:`lammps_commands_list` to have LAMMPS
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execute a list of input lines.
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:p character(len=*) cmd(:): list of LAMMPS input lines
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:p character(len=\*) cmd(:): list of LAMMPS input lines
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--------
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@ -283,7 +283,7 @@ Procedures Bound to the lammps Derived Type
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This method will call :cpp:func:`lammps_commands_string` to have LAMMPS
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execute a block of commands from a string.
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:p character(len=*) str: LAMMPS input in string
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:p character(len=\*) str: LAMMPS input in string
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--------
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@ -301,12 +301,12 @@ Procedures Bound to the lammps Derived Type
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This function will call :cpp:func:`lammps_get_thermo` and return the value
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of the corresponding thermodynamic keyword.
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:p character(len=*) name: string with the name of the thermo keyword
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:p character(len=\*) name: string with the name of the thermo keyword
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:r real(C_double): value of the requested thermo property or 0.0_C_double
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--------
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.. f:subroutine:: extract_box([boxlo][, boxhi][, xy][, yz][, xz][, pflag]s[, boxflag])
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.. f:subroutine:: extract_box([boxlo][, boxhi][, xy][, yz][, xz][, pflags][, boxflag])
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This subroutine will call :cpp:func:`lammps_extract_box`. All parameters
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are optional, though obviously at least one should be present. The
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@ -407,7 +407,7 @@ Procedures Bound to the lammps Derived Type
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Query LAMMPS about global settings. See the documentation for the
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:c:func:`lammps_extract_setting` function from the C library.
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:p character(len=*) keyword: string containing the name of the thermo keyword
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:p character(len=\*) keyword: string containing the name of the thermo keyword
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:r integer(c_int): value of the queried setting or :math:`-1` if unknown
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--------
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@ -463,7 +463,7 @@ Procedures Bound to the lammps Derived Type
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too short, the string will be truncated. As usual in Fortran, strings
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are padded with spaces at the end.
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:p character(len=*) name: string with the name of the extracted property
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:p character(len=\*) name: string with the name of the extracted property
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:r polymorphic: pointer to LAMMPS data. The left-hand side of the assignment
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should be either a string (if expecting string data) or a C-interoperable
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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.
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It requires a Fortran compiler that supports the Fortran 2003 standard.
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This interface is based on and supersedes the previous Fortran interfaces
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in the examples/COUPLE/fortran* folders. But is fully supported by the
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in the examples/COUPLE/fortran* folders, but is fully supported by the
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LAMMPS developers and included in the documentation and unit testing.
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Details on this Fortran interface and how to build programs using it
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are in the manual in the doc/html/pg_fortran.html file.
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are in the manual in the doc/html/Fortran.html file.
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@ -123,7 +123,7 @@ MODULE LIBLAMMPS
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IMPLICIT NONE
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INTEGER(c_int), VALUE, INTENT(IN) :: argc
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TYPE(c_ptr), DIMENSION(*), INTENT(IN) :: argv
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TYPE(c_ptr), VALUE, INTENT(in) :: handle
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TYPE(c_ptr), VALUE, INTENT(IN) :: handle
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TYPE(c_ptr) :: lammps_open_no_mpi
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END FUNCTION lammps_open_no_mpi
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@ -364,7 +364,7 @@ CONTAINS
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! Constructor for the LAMMPS class.
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! Combined wrapper around lammps_open_fortran() and lammps_open_no_mpi()
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TYPE(lammps) FUNCTION lmp_open(args, comm)
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INTEGER, INTENT(in), OPTIONAL :: comm
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INTEGER, INTENT(IN), OPTIONAL :: comm
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CHARACTER(LEN=*), INTENT(IN), OPTIONAL :: args(:)
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TYPE(c_ptr), ALLOCATABLE :: argv(:)
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INTEGER(c_int) :: i, c_comm, argc
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@ -436,7 +436,7 @@ CONTAINS
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! equivalent function to lammps_commands_list()
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SUBROUTINE lmp_commands_list(self, cmds)
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CLASS(lammps) :: self
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CHARACTER(len=*), INTENT(in), OPTIONAL :: cmds(:)
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CHARACTER(LEN=*), INTENT(IN), OPTIONAL :: cmds(:)
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TYPE(c_ptr), ALLOCATABLE :: cmdv(:)
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INTEGER :: i, ncmd
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