non excl intra - non excl inter - non excl inter charged

Note

For a description of the common aspects of conditions, including their usage and shared parameters (cutOff, cutOffVerletFactor), please refer to the general conditions documentation.

This condition creates three diffirent lists. All of them are non-excluded. This means that is ensured if a pairs of particles is given in the exclusion list, this pairs will not be in any of the three lists.

The three lists are:

1. A list with pairs of particles with the same modelId (and not excluded). This list is labeled as intra.

2. A list with pairs of particles with different modelId (and not excluded). This list is labeled as inter.

3. A list with pairs of particles with the same modelId and where both particles have a charge (and not excluded). This list is labeled as charged.

Note

A detailed description of how to set the exclusion list can be found in the documentation of nonExcluded condition.

---

• type: VerletConditionalListSet, nonExclIntra_nonExclInter_nonExclInterCharged.

• parameters:

  • cutOff : float, optional, default: 0.

  • cutOffVerletFactor : float, optional, default: 1.1 .

• data:

  id	id_list
  int	[int, int , …]

---

Example:

"entryName":{
  "type":["VerletConditionalListSet","nonExclIntra_nonExclInter_nonExclInterCharged"]
  "parameters":{
    "cutOff":1.0,
    "cutOffVerletFactor":1.2
  },
  "labels":["id","id_list"],
  "data":[
     [0,[1,2,3]],
     [1,[0,2,3]],
     [2,[0,1,3]],
     [3,[0,1,2]],
     ["...","..."]
  ]
}