atom and add toluene
a5b65c1af48c
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Authored by Julien Devemy <julien.devemy@uca.fr> on Aug 31 2017, 15:03.

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Mods for extra/special/per/atom and add toluene

Committed

Julien Devemy <julien.devemy@uca.fr>

Aug 31 2017, 15:03

Pushed

junge

Oct 19 2017, 09:53

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Julien Devemy <julien.devemy@uca.fr> committed rLAMMPSa5b65c1af48c: Mods for extra/special/per/atom and add toluene (authored by Julien Devemy <julien.devemy@uca.fr>).Aug 31 2017, 15:03

		Path
M		doc/src/Section_howto.txt
M		examples/USER/drude/README
A	(dir)	examples/USER/drude/toluene/
A		examples/USER/drude/toluene/data.toluene
A		examples/USER/drude/toluene/in.toluene.lang
A		examples/USER/drude/toluene/in.toluene.nh
A		examples/USER/drude/toluene/log.toluene.lang.11Aug17.linux.1
A		examples/USER/drude/toluene/log.toluene.lang.11Aug17.linux.4
A		examples/USER/drude/toluene/log.toluene.nh.11Aug17.linux.1
A		examples/USER/drude/toluene/log.toluene.nh.11Aug17.linux.4
M		src/USER-DRUDE/README
M		src/USER-DRUDE/fix_drude.cpp
M		tools/drude/polarizer.py