[DFTB-Plus-User] overlap between two MD frames

Sharma SRK Chaitanya Yamijala sharmajncasr at gmail.com
Tue Oct 4 16:12:56 CEST 2016

Dear all,

Is there any simple hack to calculate the overlap between two frames using
DFTB+. I have gone through the source code and I found that it is dependent
on many modules in lib_dftb like non-scc.f90, sk.f90, slako_cont.f90 ...
and also on the lib_math modules like sort.f90, bisection.f90 (while
calculating neighbor lists) etc. Any suggestion, please?

Thank you for your help,

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