You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
Functions that deal with bonds (force/eneryg calculation, bond breakgge, collisin deteciotn, cluster analysis) should not know about how exactly the bond info is stored. See #4390 for background.
We allow for differnet storage formats for pair bonds and multi-partner bonds (#4390)
Steps
Implement storage-agnostic interface functions
in src/core/bonds.cpp/hpp (to be created). All of these are parallel calls. They will
for now: create the respective BondView for the primary particle (first particle id in pair or multi-particle bonds) and insert/remove/find it in the Particle.bonds() of the primary particle (which is a BondList, i.e., a container for BondView)
in the future: Create approprate bond views (which differ for all involved particles) and add/remove/find tehm on the p.bonds() for all involved particles
Functions that deal with bonds (force/eneryg calculation, bond breakgge, collisin deteciotn, cluster analysis) should not know about how exactly the bond info is stored. See #4390 for background.
We allow for differnet storage formats for pair bonds and multi-partner bonds (#4390)
Steps
Implement storage-agnostic interface functions
in
src/core/bonds.cpp/hpp
(to be created). All of these are parallel calls. They willfor now: create the respective BondView for the primary particle (first particle id in pair or multi-particle bonds) and insert/remove/find it in the Particle.bonds() of the primary particle (which is a BondList, i.e., a container for BondView)
in the future: Create approprate bond views (which differ for all involved particles) and add/remove/find tehm on the p.bonds() for all involved particles
add_pair_bond(bond_id, p1_id, p2_id)
remove_pair_bond()
bond pair_bond_exists()
remove_...
..._exists
for_each_bond(particle, pair_bond_kernel, multi_bond_kernel);
. where the kernels takebond_id, p1_id, p2_id
bond_id, vector<int> involved_particle_ids
The text was updated successfully, but these errors were encountered: