implemented create_atoms and encode_image_flags and unit tests for them; added IMGMASK and friends to extract_setting and unit tests for them; wrote documentation for them
This commit is contained in:
@ -953,6 +953,7 @@ not recognized, the function returns -1. The integer sizes functions may
|
||||
be called without a valid LAMMPS object handle (it is ignored).
|
||||
|
||||
* :ref:`Integer sizes <extract_integer_sizes>`
|
||||
* :ref:`Image masks <extract_image_masks>`
|
||||
* :ref:`System status <extract_system_status>`
|
||||
* :ref:`System sizes <extract_system_sizes>`
|
||||
* :ref:`Atom style flags <extract_atom_flags>`
|
||||
@ -977,6 +978,28 @@ be called without a valid LAMMPS object handle (it is ignored).
|
||||
- size of the ``imageint`` integer type, 4 or 8 bytes.
|
||||
Set at :ref:`compile time <size>`.
|
||||
|
||||
.. _extract_image_masks:
|
||||
|
||||
**Image masks**
|
||||
|
||||
These settings are related to how LAMMPS stores and interprets periodic images. The values are used
|
||||
internally by the Fortran interface and are not likely to be useful to users.
|
||||
|
||||
.. list-table::
|
||||
:header-rows: 1
|
||||
:widths: auto
|
||||
|
||||
* - Keyword
|
||||
- Description / Return value
|
||||
* - IMGMASK
|
||||
- Bit-mask used to convert image flags to a single integer
|
||||
* - IMGMAX
|
||||
- Maximum allowed image number for a particular atom
|
||||
* - IMGBITS
|
||||
- Bits used in image counts
|
||||
* - IMG2BITS
|
||||
- Second bitmask used in image counts
|
||||
|
||||
.. _extract_system_status:
|
||||
|
||||
**System status**
|
||||
@ -1096,6 +1119,11 @@ int lammps_extract_setting(void *handle, const char *keyword)
|
||||
if (strcmp(keyword,"tagint") == 0) return sizeof(tagint);
|
||||
if (strcmp(keyword,"imageint") == 0) return sizeof(imageint);
|
||||
|
||||
if (strcmp(keyword,"IMGMASK") == 0) return IMGMASK;
|
||||
if (strcmp(keyword,"IMGBITS") == 0) return IMGBITS;
|
||||
if (strcmp(keyword,"IMG2BITS") == 0) return IMG2BITS;
|
||||
if (strcmp(keyword,"IMGMAX") == 0) return IMGMAX;
|
||||
|
||||
if (strcmp(keyword,"dimension") == 0) return lmp->domain->dimension;
|
||||
if (strcmp(keyword,"box_exist") == 0) return lmp->domain->box_exist;
|
||||
if (strcmp(keyword,"newton_bond") == 0) return lmp->force->newton_bond;
|
||||
|
||||
Reference in New Issue
Block a user