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Added "New in version TBD" to new functions

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This commit is contained in:
Karl Hammond
2022-09-24 12:12:24 -05:00
parent a94cfe175b
commit 058e49696a
1 changed files with 14 additions and 0 deletions
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doc/src/Fortran.rst
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@ -376,6 +376,8 @@ Procedures Bound to the lammps Derived Type
This function will call :cpp:func:`lammps_get_thermo` and return the value This function will call :cpp:func:`lammps_get_thermo` and return the value
of the corresponding thermodynamic keyword. of the corresponding thermodynamic keyword.
.. versionadded:: TBD
: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` :r real(c_double): value of the requested thermo property or `0.0_c_double`
@ -389,6 +391,8 @@ Procedures Bound to the lammps Derived Type
as integers, but should be declared as ``LOGICAL`` variables when as integers, but should be declared as ``LOGICAL`` variables when
calling from Fortran. calling from Fortran.
.. versionadded:: TBD
:o real(c_double) boxlo [dimension(3),optional]: vector in which to store :o real(c_double) boxlo [dimension(3),optional]: vector in which to store
lower-bounds of simulation box lower-bounds of simulation box
:o real(c_double) boxhi [dimension(3),optional]: vector in which to store :o real(c_double) boxhi [dimension(3),optional]: vector in which to store
@ -423,6 +427,8 @@ Procedures Bound to the lammps Derived Type
This subroutine will call :cpp:func:`lammps_reset_box`. All parameters This subroutine will call :cpp:func:`lammps_reset_box`. All parameters
are required. are required.
.. versionadded:: TBD
:p real(c_double) boxlo [dimension(3)]: vector of three doubles containing :p real(c_double) boxlo [dimension(3)]: vector of three doubles containing
the lower box boundary the lower box boundary
:p real(c_double) boxhi [dimension(3)]: vector of three doubles containing :p real(c_double) boxhi [dimension(3)]: vector of three doubles containing
@ -438,6 +444,8 @@ Procedures Bound to the lammps Derived Type
This subroutine will call :cpp:func:`lammps_memory_usage` and store the This subroutine will call :cpp:func:`lammps_memory_usage` and store the
result in the three-element array *meminfo*. result in the three-element array *meminfo*.
.. versionadded:: TBD
:p real(c_double) meminfo [dimension(3)]: vector of three doubles in which :p real(c_double) meminfo [dimension(3)]: vector of three doubles in which
to store memory usage data to store memory usage data
@ -448,6 +456,8 @@ Procedures Bound to the lammps Derived Type
This function returns a Fortran representation of the LAMMPS "world" This function returns a Fortran representation of the LAMMPS "world"
communicator. communicator.
.. versionadded:: TBD
:r integer: Fortran integer equivalent to the MPI communicator LAMMPS is :r integer: Fortran integer equivalent to the MPI communicator LAMMPS is
using using
@ -484,6 +494,8 @@ Procedures Bound to the lammps Derived Type
Query LAMMPS about global settings. See the documentation for the Query LAMMPS about global settings. See the documentation for the
:cpp:func:`lammps_extract_setting` function from the C library. :cpp:func:`lammps_extract_setting` function from the C library.
.. versionadded:: TBD
: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 :r integer(c_int): value of the queried setting or :math:`-1` if unknown
@ -495,6 +507,8 @@ Procedures Bound to the lammps Derived Type
either a string or a pointer to internal global LAMMPS data, either a string or a pointer to internal global LAMMPS data,
depending on the data requested through *name*. depending on the data requested through *name*.
.. versionadded:: TBD
Note that this function actually does not return a value, but rather Note that this function actually does not return a value, but rather
associates the pointer on the left side of the assignment to point to associates the pointer on the left side of the assignment to point to
internal LAMMPS data (with the exception of string data, which are internal LAMMPS data (with the exception of string data, which are