Mods for extra/special/per/atom and add toluene (a5b65c1a) · Commits · multiscale / lammps · GitLab

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a5b65c1a

Commit a5b65c1a authored 7 years ago by Julien Devemy

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

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doc/src/Section_howto.txt 2 additions, 2 deletions

doc/src/Section_howto.txt
examples/USER/drude/README 4 additions, 1 deletion

examples/USER/drude/README
examples/USER/drude/toluene/data.toluene 24601 additions, 0 deletions

examples/USER/drude/toluene/data.toluene
examples/USER/drude/toluene/in.toluene.lang 116 additions, 0 deletions

examples/USER/drude/toluene/in.toluene.lang
examples/USER/drude/toluene/in.toluene.nh 122 additions, 0 deletions

examples/USER/drude/toluene/in.toluene.nh
examples/USER/drude/toluene/log.toluene.lang.11Aug17.linux.1 251 additions, 0 deletions

examples/USER/drude/toluene/log.toluene.lang.11Aug17.linux.1
examples/USER/drude/toluene/log.toluene.lang.11Aug17.linux.4 251 additions, 0 deletions

examples/USER/drude/toluene/log.toluene.lang.11Aug17.linux.4
examples/USER/drude/toluene/log.toluene.nh.11Aug17.linux.1 259 additions, 0 deletions

examples/USER/drude/toluene/log.toluene.nh.11Aug17.linux.1
examples/USER/drude/toluene/log.toluene.nh.11Aug17.linux.4 259 additions, 0 deletions

examples/USER/drude/toluene/log.toluene.nh.11Aug17.linux.4
src/USER-DRUDE/README 2 additions, 2 deletions

src/USER-DRUDE/README
src/USER-DRUDE/fix_drude.cpp 1 addition, 1 deletion

src/USER-DRUDE/fix_drude.cpp
tools/drude/polarizer.py 48 additions, 41 deletions

tools/drude/polarizer.py

with 25916 additions and 47 deletions

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