Differences between revisions 4 and 5
⇤ ← Revision 4 as of 2021-02-03 15:38:07 →
Size: 1066
Editor: bsw388
Comment:
← Revision 5 as of 2021-02-03 15:38:48 → ⇥
Size: 1068
Editor: bsw388
Comment:
Deletions are marked like this. Additions are marked like this.
Line 9: Line 9:
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.

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)