Added "New in version TBD" to new functions
This commit is contained in:
@ -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
|
||||
|
||||
Reference in New Issue
Block a user