T O N T O

A free object-based system for computational chemistry

Version: 21.03.16 v. cb74494

Platform: Windows

Build-date: 2021-03-16 05:01

For conditions of use, on-line documentation, and contributor

and developer information see :-

https://github.com/dylan-jayatilaka/tonto

Dylan Jayatilaka

Daniel Grimwood

Peter Spackman

_______________________________________________________________

Timer started at 09/01/2024 19:20:28.

Warning from SPACEGROUP:set_IT_symbol ... IT_symbol is blank or ?

Trying to correct wrong/missing spacegroup symbol.

Found spacegroup Hall symbol: p 1

Warning from MOLECULE.MAIN:read_atoms ... atom list already defined!

Error in CRYSTAL:make_frag_atom_for_cell_atom ... fragment atom 3 was not found in the unit cell

File name = stdin

Line number = 60

File buffer = }

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