add support for set_vector for fix external in c-library, python and unittest

This commit is contained in:
Axel Kohlmeyer
2021-07-16 23:41:25 -04:00
parent d462bb3131
commit fa654f2270
7 changed files with 188 additions and 16 deletions

View File

@ -8,7 +8,11 @@ functions. They do not directly call the LAMMPS library.
- :cpp:func:`lammps_decode_image_flags`
- :cpp:func:`lammps_set_fix_external_callback`
- :cpp:func:`lammps_fix_external_set_energy_global`
- :cpp:func:`lammps_fix_external_set_energy_peratom`
- :cpp:func:`lammps_fix_external_set_virial_global`
- :cpp:func:`lammps_fix_external_set_virial_peratom`
- :cpp:func:`lammps_fix_external_set_vector_length`
- :cpp:func:`lammps_fix_external_set_vector`
- :cpp:func:`lammps_free`
- :cpp:func:`lammps_is_running`
- :cpp:func:`lammps_force_timeout`
@ -43,11 +47,31 @@ where such memory buffers were allocated that require the use of
-----------------------
.. doxygenfunction:: lammps_fix_external_set_energy_peratom
:project: progguide
-----------------------
.. doxygenfunction:: lammps_fix_external_set_virial_global
:project: progguide
-----------------------
.. doxygenfunction:: lammps_fix_external_set_virial_peratom
:project: progguide
-----------------------
.. doxygenfunction:: lammps_fix_external_set_vector_length
:project: progguide
-----------------------
.. doxygenfunction:: lammps_fix_external_set_vector
:project: progguide
-----------------------
.. doxygenfunction:: lammps_free
:project: progguide