Diffusion lammps (lammps-icms) History

lammps/src/USER-MOLFILE/dump_molfile.cpp
lammps-icmsa8597772cc795149d844e5d…

Jun 9 2012

update README file
a49a33395616
·Axel Kohlmeyer on Jun 9 2012, 23:03.
bugfixes
65abdfc559ad
·Axel Kohlmeyer on Jun 9 2012, 02:28.
support some per atom properties for molfile plugins fix stupid parallel bug.
e5014776d3a2
·Axel Kohlmeyer on Jun 9 2012, 02:21.

May 5 2012

prepare for handling additional structure data
b93b972ee1f2
·Axel Kohlmeyer on May 5 2012, 01:48.

May 4 2012

prepare for collecting and writing out more atomic data
9ef78bf266d2
·Axel Kohlmeyer on May 4 2012, 21:01.
now we can write xyz and pdb and similar files.
b9ece5b3365e
·Axel Kohlmeyer on May 4 2012, 00:47.

May 2 2012

change behavior of the molfile interface class. it will now behave more like a…
221368f94fec
·Axel Kohlmeyer on May 2 2012, 20:28.
remove debug output
9132b7329309
·Axel Kohlmeyer on May 2 2012, 04:53.
first working version of dump molfile. no structure yet.
ac7d36cd90e8
·Axel Kohlmeyer on May 2 2012, 04:45.