Z end of file

You have typed in a variable name in the above example, H3NNN that is not in the z-matrix. You are attempting to do a generate rigid potential energy scan. Most likely, you have two blank lines instead of one between the z-matrix and the variables. This can be an input error. At least two atoms are too close together, with the list given above.

Rarely, this can be a program error, particularly when one of the distances is NaN. This can happen when trying to optimize diatomics and you start off with too large a distance. You will need to check variables and the z-matrix of the atoms in question to make sure there are no atoms close together. This can be a result of a missing minus sign in a torsion angle for molecules with planes of symmetry, in which the two atoms related by the plane of symmetry are now coincident, that is, they have distance 0 between them.

The rational function optimization was not successful during a linear search. Most likely the Hessian is no longer valid. You forgot to add a variable in your Z-matrix to your list. Viewed 1k times. Improve this question. Stubbs Stubbs 1 1 gold badge 3 3 silver badges 14 14 bronze badges. When you invoke fopen , do you specify b binary as part of the mode parameter? ChrisW No. I'm reading and writing text files, though.

Using the UTF-8 flag. Finding one in a utf-8 encoded file is a dinosaur-and-humans-movie kind of time anachronism. But yes, fread already filters it when you open the file in text mode. On other systems, stdio normally does not munge your data like that. Sorry about that. Knowledge Base Toggle local menu Menus About the team. Knowledge Base Search. Log in. Options Help Chat with a consultant. Include archived documents. This content has been archived , and is no longer maintained by Indiana University.

Information here may no longer be accurate, and links may no longer be available or reliable. Related documents. About the. Z file extension About compressed files in Unix Use tar to combine multiple files into an archive file.

Improve this answer. Z files. This will provide you more information. Community Bot 1. Neil Neil 2 2 bronze badges. Sign up or log in Sign up using Google. Sign up using Facebook. Sign up using Email and Password. Post as a guest Name. Email Required, but never shown. The Overflow Blog. Podcast Making Agile work for data science.