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[BUG] Check that the documentation and code for the analysis jobs are consistent and correct
Description of the error The documentation for some analysis jobs are not consistent and need to be corrected. Additionally it will be worth checking that the theory behind these jobs are correct. In some cases documentation is missing and need to be added.
Suggested fix We need to updated the code and/or documentation for all jobs.
Jobs to check
Dynamics
- [ ] #399
- [x] #411
- [ ] GeneralAutoCorrelationFunction
- [x] MeanSquareDisplacement
- [ ] OrderParameter
- [x] PositionAutoCorrelationFunction
- [x] VelocityAutoCorrelationFunction
Structure
- [ ] AreaPerMolecule
- [ ] DensityProfile
- [x] Eccentricity
- [ ] MolecularTrace
- [x] #404
- [x] #381
- [x] RootMeanSquareFluctuation
- [ ] SolventAccessibleSurface
- [ ] Voronoi
- [x] CoordinationNumber
- [x] PairDistributionFunction
- [x] StaticStructureFactor
- [ ] XRayStaticStructureFactor
Scattering
- [x] CurrentCorrleationFunction
- [x] DynamicCoherentStructureFactor
- [x] DynamicIncoherentStructureFactor
- [x] ElasticIncoherentStructureFactor
- [x] GuassianDynamicIncoherentStructureFactor
- [x] NeutronDynamicStructureFactor
- [x] StructureFactorFormScatteringFunction
Thermodynamics
- [ ] Density
- [ ] Temperature
Infrared
- [x] Infrared
- [x] DipoleAutoCorrelationFunction
Virutal Instruments
- [ ] McStasVirtualInstruments
Other things
- [x] #369