[ ] extend CUBA to include keywords for each type of material relation and any needed parameters. (Currently the known material relations are all MD ...LennardJones etc)
[ ] create a file containing description of various material relations (LennardJones etc)
[ ] write script to generate material relation classes from the description file.
nathanfranklin
commented
8 years ago
This issue is related to #226 and https://publicwiki-01.fraunhofer.de/SimPhoNy-Project/index.php/MaterialRelations_proposal . This issue to to add material relations related to MD (molectular dynamics)
[ ] extend CUBA to include keywords for each type of material relation and any needed parameters. (Currently the known material relations are all MD ...LennardJones etc) [ ] create a file containing description of various material relations (LennardJones etc) [ ] write script to generate material relation classes from the description file.