Aoife Catherine Fogarty

new particle property isfixed

3

Used for having some fixed-resolution particles (i.e. particles whose resolution is always atomistic or always coarse-grained, and does not change as a function of its position in space) in a...

Bonded interactions between CG particles

1

In AdResS, we have particles on CG and AT level. FixedTupleListAdress maps from the CG particle to the AT particles it contains. Currently, we can have bonds between two CG...

Unit testing

8

We have some unit testing in espresso++ but it looks like no one except @MrTheodor is really adding new tests. Recently I was trying to write some tests for a...