From 058e49696a83c30c0e3e202ef6c489ab032e17df Mon Sep 17 00:00:00 2001 From: Karl Hammond Date: Sat, 24 Sep 2022 12:12:24 -0500 Subject: [PATCH] Added "New in version TBD" to new functions --- doc/src/Fortran.rst | 14 ++++++++++++++ 1 file changed, 14 insertions(+) diff --git a/doc/src/Fortran.rst b/doc/src/Fortran.rst index e15555bc4e..77ab447c7c 100644 --- a/doc/src/Fortran.rst +++ b/doc/src/Fortran.rst @@ -376,6 +376,8 @@ 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. + .. versionadded:: TBD + :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` @@ -389,6 +391,8 @@ Procedures Bound to the lammps Derived Type as integers, but should be declared as ``LOGICAL`` variables when calling from Fortran. + .. versionadded:: TBD + :o real(c_double) boxlo [dimension(3),optional]: vector in which to store lower-bounds of simulation box :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 are required. + .. versionadded:: TBD + :p real(c_double) boxlo [dimension(3)]: vector of three doubles containing the lower box boundary :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 result in the three-element array *meminfo*. + .. versionadded:: TBD + :p real(c_double) meminfo [dimension(3)]: vector of three doubles in which 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" communicator. + .. versionadded:: TBD + :r integer: Fortran integer equivalent to the MPI communicator LAMMPS is using @@ -484,6 +494,8 @@ Procedures Bound to the lammps Derived Type Query LAMMPS about global settings. See the documentation for the :cpp:func:`lammps_extract_setting` function from the C library. + .. versionadded:: TBD + :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 @@ -495,6 +507,8 @@ Procedures Bound to the lammps Derived Type either a string or a pointer to internal global LAMMPS data, depending on the data requested through *name*. + .. versionadded:: TBD + 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 internal LAMMPS data (with the exception of string data, which are