|
⇤ ← Revision 1 as of 2021-02-03 15:35:27
Size: 1065
Comment:
|
Size: 1058
Comment:
|
| Deletions are marked like this. | Additions are marked like this. |
| Line 11: | Line 11: |
| - [[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
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 1 Geometry Optimization 1 Basin-Hopping simulations 1 Dispersion Models 1 Compilation Instructions 1 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 Potential fitting using Orient & CamCASP 1 Rotating (& transferring) data to and from a local axis frame