Moltemplate

Latest version: v2.20.19

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2.19.14

1) Now you can omit the bond type in genpoly_lt.py.
2) The "-inherits" argument finally works in genpoly_modify_lt.py.

2.19.13

1) Bugfix: read dump now handles ellipsoid orientation correctly.
2) Corrected the MOLC citation.

Thanks to Otello Roscioni for discovering both problems and correcting them.

2.19.12

Depending on the version of awk installed, not all users were effected.
Hopefully the new awk code (at line 572 of moltemplate.sh) should be more robust and work with all flavors of awk.
Thanks to Daoud El Kadiri for reporting and locating the error (and helping with debugging)!

2.19.11

This is a minor update.

A bug was fixed that prevented moltemplate (ttree.py) from crashing when applied to nonsensical input. Another bug was fixed in genpoly_lt.py. Thanks to Sean Steadley (NC State University) and Reginaldo Gonçalves Leão Jr for reporting these bugs!

2.19.10

Previously, moltemplate users could prepare simulations containing particles that were either all-ellipsoidal, or all point-like partlcles. But there was a bug which prevented simulations containing some ellipsoidal particles mixed with ordinary (non-ellipsoidal) particles. Hopefully this has been fixed now.

2.19.9

Several bugs were fixed in *ltemplify.py*, *dump2data.py*, and *lttree_postprocess.py*. The ice and other water examples have been fixed (replacing "fix shake" with "fix rattle" everywhere). Thanks to Nathan Odendahl (UC Berkeley), and github user "davidfir3" for feedback, bug reporting, and bug fixing!

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