Read Checkpoint File Gaussian

To make a plot from a gaussian checkpoint file use the following as a template.

1. Checkpoint File In Ssis
2. Tensorflow Checkpoint File

Use read_g09_fchk_file for the g09 program NOTE: the fchk checkpoint file made using the formchk program; give it the name you want. To check if your fchk file was read in properly, use the put command (third line). Next, the command read_g94_fchk_file which does the job. It is followed by the name of the Gaussian checkpoint file nh2cn_b3lyp.fchk to be read in The read_g94_fchk_file command is supposed to work for the g94 program.

What you need to change:

• The name of the job
• The checkpoint file name. See Reading gaussian checkpoint files if you don't understand.
• Specify the type of density matrix you want; in the above it is the rohf type.
  • You don't need to do an scf calculation, just specify the kind of density matrix in scfdata=
• Change the type of plot from electric_potential to what you want
• Change the format of the plot from vapor to the kind you want
  • If you don't know the type, put a question mark to find the allowed types
  • WARNING: if you don't use the plot format, you will get all possible formats--a lot of files!
  • You can write your own format in the ARCHIVE module; see also MOLECULE:dump_plot_file

Retrieved from ‘http://130.95.176.70/tonto/wiki/index.php?title=Making_a_density_matrix_from_a_gaussian_checkpoint_file&oldid=21’

1 extension(s) and 0 alias(es) in our database

Below, you can find answers to the following questions:

• What is the .fch file?
• Which program can create the .fch file?
• Where can you find a description of the .fch format?
• What can convert .fch files to a different format?
• Which MIME-type is associated with the .fch extension?

Gaussian Formatted Checkpoint File

FCH file is a Gaussian Formatted Checkpoint File. Gaussian is an electronic structure programs. Designed to model a broad range of molecular systems under a variety of conditions, it performs its computations starting from the basic laws of quantum mechanics.

Category: Data files

Application:Gaussian

Mime-type: application/octet-stream

Magic string (ASCII): -

fchk

-

Gaussian Cube Data

Other types of files may also use the .fch file extension. If you have helpful information about .fch extension, write to us!

Is it possible that the filename extension is misspelled?

We found the following similar extensions in our database:

PCCharge Offline Transaction Log

Precompiled C Header File

Adobe FreeHand Drawing

FAAST Builder File

QLogic FibreChannel Firmware Code

.NET Security Cache

SWAT Reach Output Data

Canute FHC Data FIle

fCraft World

The .fch filename extension is often given incorrectly!

According to the searches on our site, these misspellings were the most common in the past year:

tch (1), bch (1), gch (1), fsh (1), fh (1), fct (1), fcb (1), ech (1), ch (1), vch (1), cch (1), rch (1), fxh (1), fhc (1), fcu (1)

Can't open a .fch file?

If you want to open a .fch file on your computer, you just need to have the appropriate program installed. If the .fch association isn't set correctly, you may receive the following error message:

Windows can't open this file:
File: example.fch
To open this file, Windows needs to know what program you want to use to open it. Windows can go online to look it up automatically, or you can manually select from a list of programs that are installed on your computer.

To change file associations:

• Right-click a file with the extension whose association you want to change, and then click Open With.
• In the Open With dialog box, click the program whith which you want the file to open, or click Browse to locate the program that you want.
• Select the Always use the selected program to open this kind of file check box.

Supported operating systems

Checkpoint File In Ssis

Windows Server 2003/2008/2012/2016, Windows 7, Windows 8, Windows 10, Linux, FreeBSD, NetBSD, OpenBSD, Mac OS X, iOS, Android

Rate this page

Tensorflow Checkpoint File

FCI file extension »