lammps/src/USER-MOLFILE/dump_molfile.cppmaster
lammps/src/USER-MOLFILE/dump_molfile.cpp
master
History Graph
History Graph
Commit | Author | Details | Committed | |||
---|---|---|---|---|---|---|
a49a33395616 | Axel Kohlmeyer | update README file | Jun 9 2012 | |||
65abdfc559ad | Axel Kohlmeyer | bugfixes | Jun 9 2012 | |||
e5014776d3a2 | Axel Kohlmeyer | support some per atom properties for molfile plugins fix stupid parallel bug. | Jun 9 2012 | |||
b93b972ee1f2 | Axel Kohlmeyer | prepare for handling additional structure data | May 5 2012 | |||
9ef78bf266d2 | Axel Kohlmeyer | prepare for collecting and writing out more atomic data | May 4 2012 | |||
b9ece5b3365e | Axel Kohlmeyer | now we can write xyz and pdb and similar files. | May 4 2012 | |||
221368f94fec | Axel Kohlmeyer | change behavior of the molfile interface class. it will now behave more like a… | May 2 2012 | |||
9132b7329309 | Axel Kohlmeyer | remove debug output | May 2 2012 | |||
ac7d36cd90e8 | Axel Kohlmeyer | first working version of dump molfile. no structure yet. | May 2 2012 |
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