autografs

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in the previous version, we could put the layer and pillar linker according to the order of them an autograf put them in right place for PCU topology and a...

mersadkhan

sql topology doesnt rotate the linker

5

If you use a random liker with several atoms in 3D(not like the example of benzene just in 2D), it doesn't connect the linker and the center properly correctly. It...

mersadkhan

Dear Dr. Damien Coupry, Would you please update the examples? Thanks! Best, Daqiang

Yuandq

Write and test type annotations for better bug hunting

DCoupry

Some MOFS rely on SBUs that are assymetrical (P1). The alignment code should suffice to define "custom symmetries" for SBU -> topology matching This is needed for highly custom topologies...

DCoupry

Write better docstrings for automatic documentation generation

DCoupry

"defect_octahedral" which mentioned in the usage examples is not implemented in the code. trace the sample on the web page again.

mersadkhan

pip install AuToGraFS usage of numpy 1.14.6 does not work

1

Pip installing autografs (AuToGraFS) has requirement for numpy 1.14.6 (at least for linux 3.10.0-957.12.2.el7.x86_64) which does not find the "numpy.core._multiarray_umath" module. Subsequently upgrading to numpy 1.18.0 raises warning of incompatibility,...

str-eat