Basis atom types in fix append/atoms

Dear developers and users,

while using fix append/atoms to add layers to a molecular crystal, we noticed that it always adds type 1 atoms, even if other types were assigned to basis atoms before. Then we made little changes in fix_append_atoms.cpp and .h files so that user can now define basis atom types in the fix, the same way as it is done in create_atoms command. I’m attaching .h and .cpp files here, for the case it may be useful for someone else.

Oleg Sergeev,
postgrad student,
MIPT (Moscow).

fix_append_atoms.h (2.5 KB)

fix_append_atoms.cpp (16.8 KB)

1 Like

Just added this as a 10Jan patch.

It's a nice addition - thanks,