====== 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**
----
[[:advanced:software|Back to software]]