Any chance someone could apply this patch to the avogadro v1 master symmetry extension /libmsym?
I don’t have a fork and pressed for time.
It won’t build with g++ only with clang (requires VLA).
Might need to "set_target_properties (msym PROPERTIES POSITION_INDEPENDENT_CODE “TRUE”)” as well in symmetry/CMakeLists.txt. (not working on the arch linux package manager) since libmsym uses the BUILD_SHARED_LIBS flag.
On 21 Aug 2015, at 15:47, Marcus D. Hanwell [email protected] wrote:
It would be great to consider what primitives might be missing, and
either add factories that simply create meshes, or boost them to new
primitive types if that makes more sense. I also need to dig into an
issue with text rendering on Windows where it appears to be causing
crashes in the latest release.
Avogadro v1 has a nice transparent partial disc rendering for angles that would be nice for cubic groups, a rectangle would probably be better for the other ones since they have orientation.
It would be great to get symmetry elements in Avogadro 2, thanks for
working on this!
No problem it’s fun. There are some more features coming when I get the time:
Selection of symmetrically equivalent atoms (requires selection of atoms).
Symmetry locking when moving atoms (requires some way to restrict coordinate changes in plugins)
Generation of SALCs from basis functions (requires surface rendering)
Determination of irreducible representations and symmetrisation of basis functions from other calculations (proper symmetrisation requires code updates in libmsym).
Character table gui.