Differences between revisions 15 and 20 (spanning 5 versions)
⇤ ← Revision 15 as of 2021-02-16 12:16:08 →
Size: 1103
Editor: bsw388
Comment:
← Revision 20 as of 2021-03-31 15:11:17 → ⇥
Size: 1334
Editor: bsw388
Comment:
Deletions are marked like this. Additions are marked like this.
Line 1: Line 1:
## page was renamed from AJMGrpOnly/orient
## page was renamed from AJMGrpOnly/orient/start
## page was renamed from ajm/orient/start
## page was renamed from ajm/orient
Line 2: Line 6:
#acl +All:read apw185:read,write,delete Known:read All:

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)