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Here we describe some of the functionality of **Orient** we use the most. Here we describe some of the functionality of '''Orient''' we use the most.
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  - [[ajm:orient:energy-calculations|Energy Calculations]]
  - [[ajm:orient:optimization|Geometry Optimization]]
  - [[ajm:orient:basin-hopping|Basin-Hopping simulations]]
  - [[ajm:orient:dispersion-models|Dispersion Models]]
  - [[ajm:orient:compilation-instructions|Compilation Instructions]]
  - [[ajm:orient:display|Using the Display]] This is a large tutorial that describes a number of ways of using the Orient Display module and includes making difference maps.
  - [[ajm:camcasp:potentials|Potential fitting using Orient & CamCASP]]
  - [[ajm:orient:rotating-data|Rotating (& transferring) data to and from a local axis frame]]		  1. [[ajm:orient:energy-calculations|Energy Calculations]]
 1. [[ajm:orient:optimization|Geometry Optimization]]
 1. [[ajm:orient:basin-hopping|Basin-Hopping simulations]]
 1. [[ajm:orient:dispersion-models|Dispersion Models]]
 1. [[ajm:orient:compilation-instructions|Compilation Instructions]]
 1. [[ajm:orient:display|Using the Display]] This is a large tutorial that describes a number of ways of using the Orient Display module and includes making difference maps.
 1. [[ajm:camcasp:potentials|Potential fitting using Orient & CamCASP]]
 1. [[ajm:orient:rotating-data|Rotating (& transferring) data to and from a local axis frame]]

Contents

  1. The Orient Program

The Orient Program

Full documentation of the **Orient** program is at Stone: Programs. Local versions of the manual are here:

Here we describe some of the functionality of Orient we use the most.

  1. Energy Calculations

  2. Geometry Optimization

  3. Basin-Hopping simulations

  4. Dispersion Models

  5. Compilation Instructions

  6. Using the Display This is a large tutorial that describes a number of ways of using the Orient Display module and includes making difference maps.

  7. Potential fitting using Orient & CamCASP

  8. Rotating (& transferring) data to and from a local axis frame

AJMPublic/orient (last edited 2021-04-14 11:49:19 by apw109)