jewettaij / moltemplate

A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies
http://www.moltemplate.org
MIT License
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Still on parsing of quaternions! #77

Closed hothello closed 2 years ago

hothello commented 2 years ago

Hi Andrew,

I came across this post on the Ovito forum and updated again the parser of DUMP files. Now, the parsing of quaternion includes standard names (quati, quatj, quatk, quatw) along with unsupported labels such as (quatx, quaty, quatz, quatw).

Cheers!

jewettaij commented 2 years ago

Thanks for keeping up with these details! Merging now.