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Re: some suggestions for new version of Firefly

Pedro Silva
pedros@ufp.edu.pt


Other suggestions:

Set reuse=.t. as default in surface scans using dlc=.t. auto=.t.

Including automatic detection of molecular fragments (and automatic generation of a few nonvdw() bonds between them) in auto=.t. dlc=.t. would greatly imporve the usability for novice users.

pedro


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