Solntsev Pasha
solntsev@univ.kiev.ua
Molplt=.t. doesn't do anything with your output file. See explanation of this key in the manual. Use -legacy key as an argument for FF to produce output file compatible with wxmacmolplt, as Alex mentioned in previous post:
Pavel.
On Fri Jan 18 '13 6:51am, Siddheshwar Chopra wrote
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>Dear Sir,
>This is regarding MacMolPlt,. Even after specifying MOLPLT=.t., MacMolPlt does not read the output file at all. It hangs every time I open the output file.
>Regards,
>On Thu Jan 17 '13 4:19pm, Alex Granovsky wrote
>----------------------------------------------
>>Hi,
>>one can check whether the use of -legacy Firefly's 8.0.0 command line
>>switch results in output files that are more compatible with MacMolPlt.
>>Kind regards,
>>Alex Granovsky
>>
>>
>>On Thu Jan 17 '13 9:50am, Daniil Bratashov wrote
>>------------------------------------------------
>>>On Wed Jan 16 '13 0:28am, Masoud Nahali wrote
>>>---------------------------------------------
>>>>>Dear Friends
>>>>As I have checked the new release of MacMolPlt it can open the output files of Firefly but I simply want to inform and warn you that it shows the structure and the energy of the first SCF NOT the last optimized structure and its energy. Best wishes, m
>>>If you're using linux vesion of macMolPLt (building from source), you can apply patches from here:
>>http://slackbuilds.org/repository/14.0/academic/wxmacmolplthttp://slackbuilds.org/repository/14.0/academic/wxmacmolplthttp://slackbuilds.org/repository/14.0/academic/wxmacmolplthttp://slackbuilds.org/repository/14.0/academic/wxmacmolplt
>>There should be another patch to fix ff8beta incompabilities, but it is not ready yet.