Gaussian 16 Installation Instructions

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PDL::Fit::Gaussian - routines for fitting gaussians

This module contains some custom gaussian fitting routines. These were developed in collaboration with Alison Offer, they do a reasonably robust job and are quite useful.

Installation Procedure IF1 16 PT CAB INSTALL INSTR.(1) Cover W/labeling for terminal strips.(1) Back box W/(4) four point terminal points.(1) Installation Instructions Equipment Supplied Installation Instructions 2 1/2” 8 1/2” 6 1/2” Removeable Hinged Door. UL Power-Limited Wiring Requirements: Power-Limited and nonpower-limited. See also the instructions for Parallel Meep. The Python API functions and classes can be found in the meep module, which should be installed in your Python system by Meep's make install script. If you installed into a nonstandard location (e.g. Your home directory), you may need to set the PYTHONPATH environment variable as documented in. To get access to sgausbatch, you first need to load a Gaussian module: $ module load Gaussian/16.C.01-avx2-nsc1-bdist. Then to submit a Gaussian job with default wall-time limit simply do: $ sgausbatch gaussianinput.com. Note that you will be prompted for the project (SLURM account) to use if multiple such options are available to you. Install Gaussian 16 or the Gaussian 16 Utilities if not already installed. Insert the GaussView 6 DVD. If the installation does not start automatically, -click the 'setup.exe' double application on the DVD. If the 'User Account Control' window pops up, click 'Yes' to launch it. The installation wizard is similar to other windows software, so you can follow the screen to do it step-by-step.

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Gaussian fitting is something I do a lot of, so I figured it was worth putting in my special code.

Note it is not clear to me that this code is fully debugged. The reason I say that is because I tried using the internal linear eqn solving C routines called elsewhere and they were giving erroneous results. So steal from this code with caution! However it does give good fits to reasonable looking gaussians and tests show correct parameters.

fitgauss1d

Fit 1D Gassian to data ndarray

Fits a 1D Gaussian robustly free parameters are the centre, peak height, FWHM. The background is NOT fit, because I find this is generally unreliable, rather a median is determined in the 'outer' 10% of pixels (i.e. those at the start/end of the data ndarray). The initial estimate of the FWHM is the length of the ndarray/3, so it might fail if the ndarray is too long. (This is non-robust anyway). Most data does just fine and this is a good default gaussian fitter.

SEE ALSO: fitgauss1dr() for fitting radial gaussians

fitgauss1dr

Fit 1D Gassian to radial data ndarray

Fits a 1D radial Gaussian robustly free parameters are the peak height, FWHM. Centre is assumed to be X=0 (i.e. start of ndarray). The background is NOT fit, because I find this is generally unreliable, rather a median is determined in the 'outer' 10% of pixels (i.e. those at the end of the data ndarray). The initial estimate of the FWHM is the length of the ndarray/3, so it might fail if the ndarray is too long. (This is non-robust anyway). Most data does just fine and this is a good default gaussian fitter.

SEE ALSO: fitgauss1d() to fit centre as well.

May not converge for weird data, still pretty good!

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This file copyright (C) 1999, Karl Glazebrook (kgb@aaoepp.aao.gov.au), Gaussian fitting code by Alison Offer (aro@aaocbn.aao.gov.au). All rights reserved. There is no warranty. You are allowed to redistribute this software / documentation under certain conditions. For details, see the file COPYING in the PDL distribution. If this file is separated from the PDL distribution, the copyright notice should be included in the file.

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