Dear all,
Can anyone of you please help me how to use an added property of per atom, that is added by fix property/atom?
I am going through the src file of fix property/atom and fix langevin - (where i have planned to implement it during force calculation) repeatedly but cannot make out how to use the added per/atom data extracted by fix property/atom.
Thanks,
Jeet Majumdar
Dear all,
Can anyone of you please help me how to use an added property of per atom, that is added by fix property/atom?
please use the method find_custom() in the Atom class. it will return
an index and set a flag whether the named custom property is an
integer or double.
then you can use this index as the first dimension in when accessing
the ivector or dvector 2d-arrays, respectively, where the data is
stored.
I am going through the src file of fix property/atom and fix langevin - (where i have planned to implement it during force calculation) repeatedly but cannot make out how to use the added per/atom data extracted by fix property/atom.
if you look through the source code, you will find plenty of examples
where such custom properties are accessed.
axel.