OpenMD / OpenMD

Molecular Dynamics in the Open
http://openmd.org
BSD 3-Clause "New" or "Revised" License
73 stars 31 forks source link

Samples should be fully documented #27

Closed crdrisko closed 1 month ago

crdrisko commented 2 months ago

Is your feature request related to a problem? Please describe. Some of the samples in our sample directory are missing or have incomplete documentation.

Describe the solution you'd like The following samples should have completed README.md files in the style of the sample README template:

Describe alternatives you've considered N/A

Additional context Many samples have been added already using this format, and they can be used as a guide for the above list.

Figures demonstrating the end result of a given sample are encouraged and can be placed in the appropriate directory, here. Note: this is generally recommended over an end result file to compare against due to differences in random number generation.

crdrisko commented 1 month ago

We've removed the alkane, gbljTest, and thermoIntegration sample directories as they dealt with older, less interesting samples. These were either better covered in other places or not useful enough to keep.

gezelter commented 1 month ago

All of the samples have been documented with the latest push.