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Hi,
Does QUICK output trajectory data (e.g. as extended-xyz format)? I've looked through the user-doc. but I haven't found anything. It does appear src/dlfind/dlf_util.f90: subroutine write_xyz(...) outputs this. If trajectory info can be outputted how do I enable it per frame (or frequency)?
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Hi,
Does QUICK output trajectory data (e.g. as extended-xyz format)? I've looked through the user-doc. but I haven't found anything. It does appear src/dlfind/dlf_util.f90: subroutine write_xyz(...) outputs this. If trajectory info can be outputted how do I enable it per frame (or frequency)?
Thanks!
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