# viewORCA: A Program for Viewing ORCA Calculations
This program is designed to allow the user to view ORCA calculations. Currently, viewORCA allows the user to view
* Geometric Optimisation Calculations: View the local optimisation of an ORCA calculation, along with associated energy profile of the optimisation.
* SCAN Calculations: View the geometrically converged states of the images of a SCAN calculation, along with associated energy profile of the SCAN calculation.
* Nudged Elastic Band (NEB) Calculations: View the last NEB profile, along with the energy profile of the NEB calculation.
* Intrinsic Reaction Coordinate (IRC) Calculations: View the last NEB profile, along with the energy profile of the NEB calculation.
## ORCA
I have written this procedure for:
* ORCA 5.0.4
* ORCA 5.0.3
This method should be valid for future versions of ORCA, but just in case any problems occur it may be due to ORCA version issues.
## Installing the ``viewORCA`` Program
See [Installation: Setting Up the ``viewORCA`` Program and Pre-Requisites Packages](https://geoffreyweal.github.io/viewORCA/Installation.html) for more information.
* Note that you can install the ``viewORCA`` program through ``pip3`` and ``conda``.
## Instructions for using ``viewORCA``
This program is fundamental to the [Procedure for Investigating Reaction Mechanisms in ORCA](https://geoffreyweal.github.io/ORCA_Mechanism_Procedure) tutorial.
* [Click here to find the ``viewORCA`` manual](https://geoffreyweal.github.io/viewORCA/viewORCA_Manual).
## Examples for using ``viewORCA``
Examples of the various modules as used for visualising the various ORCA calculation types can be found in [the Examples folder](https://github.com/geoffreyweal/viewORCA/tree/main/Examples) in Github.
## Questions and Feedback
If you have any questions about using ``viewORCA``, or would like to provide feedback, click on the [``Issues`` page here](https://github.com/geoffreyweal/viewORCA/issues), then click on the ``New issue`` button, and write you question/give you feedback.
Any feedback would be amazing and appreciated!
Thanks!
## Acknowledgements
The ``viewORCA neb_snap`` module is an adaptation of [neb_snapshots.py](https://github.com/via9a/neb_visualize.py) by Vilhjálmur Ásgeirsson and Benedikt Orri Birgirsson of the Universiy of Iceland.
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"description": "# viewORCA: A Program for Viewing ORCA Calculations\n\nThis program is designed to allow the user to view ORCA calculations. Currently, viewORCA allows the user to view\n\n* Geometric Optimisation Calculations: View the local optimisation of an ORCA calculation, along with associated energy profile of the optimisation. \n* SCAN Calculations: View the geometrically converged states of the images of a SCAN calculation, along with associated energy profile of the SCAN calculation. \n* Nudged Elastic Band (NEB) Calculations: View the last NEB profile, along with the energy profile of the NEB calculation.\n* Intrinsic Reaction Coordinate (IRC) Calculations: View the last NEB profile, along with the energy profile of the NEB calculation.\n\n\n## ORCA\n\nI have written this procedure for: \n\n* ORCA 5.0.4\n* ORCA 5.0.3\n\nThis method should be valid for future versions of ORCA, but just in case any problems occur it may be due to ORCA version issues. \n\n\n## Installing the ``viewORCA`` Program\n\nSee [Installation: Setting Up the ``viewORCA`` Program and Pre-Requisites Packages](https://geoffreyweal.github.io/viewORCA/Installation.html) for more information. \n\n* Note that you can install the ``viewORCA`` program through ``pip3`` and ``conda``. \n\n\n## Instructions for using ``viewORCA``\n\nThis program is fundamental to the [Procedure for Investigating Reaction Mechanisms in ORCA](https://geoffreyweal.github.io/ORCA_Mechanism_Procedure) tutorial. \n\n* [Click here to find the ``viewORCA`` manual](https://geoffreyweal.github.io/viewORCA/viewORCA_Manual).\n\n\n## Examples for using ``viewORCA``\n\nExamples of the various modules as used for visualising the various ORCA calculation types can be found in [the Examples folder](https://github.com/geoffreyweal/viewORCA/tree/main/Examples) in Github. \n\n\n## Questions and Feedback\n\nIf you have any questions about using ``viewORCA``, or would like to provide feedback, click on the [``Issues`` page here](https://github.com/geoffreyweal/viewORCA/issues), then click on the ``New issue`` button, and write you question/give you feedback. \n\nAny feedback would be amazing and appreciated! \n\nThanks!\n\n\n## Acknowledgements\n\nThe ``viewORCA neb_snap`` module is an adaptation of [neb_snapshots.py](https://github.com/via9a/neb_visualize.py) by Vilhj\u00e1lmur \u00c1sgeirsson and Benedikt Orri Birgirsson of the Universiy of Iceland. \n\n",
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