Table of Contents

NBO

NBO is a software module available on Comet.

NBO overview

To access NBO on Comet, run module load NBO. This will load the default version of NBO.

An overview of the module information is shown below (module -r spider ^NBO$): 

NBO: NBO/7.0.0
    Description:
      Natural Bond Orbital (NBO) 7 tools

    This module can be loaded directly: module load NBO/7.0.0

    Help:
      NBO 7.0.0
      
      This module sets up PATH and related variables for the NBO 7 suite.
      Key tools:
        - gennbo / gennbo.sh (wrappers)
        - binaries under nbo7/bin
      
      Example:
        module load NBO/7.0.0
        gennbo input.gjf

If there are multiple versions of NBO listed, then you can load a specific version as follows: 

$ module load NBO/version_string

You can find the most up to date information whilst logged on to Comet by running module -r spider ^NBO$.

NBO Help

The module NBO has the following embedded help text (module help NBO): 

NBO 7.0.0

This module sets up PATH and related variables for the NBO 7 suite.
Key tools:
  - gennbo / gennbo.sh (wrappers)
  - binaries under nbo7/bin

Example:
  module load NBO/7.0.0
  gennbo input.gjf

NBO Dependencies

There are no dependencies listed for NBO

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