If total volume can change, each box can change its size independently in GEMC cf. Panagiotopoulos Mol. Phys. 1988.
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| class(Abstract_Changed_Box_Size), | intent(out), | allocatable | :: | changed_boxes_size(:) | ||
| class(Abstract_Periodic_Box), | intent(in) | :: | periodic_boxes(:) | |||
| type(Concrete_Move_Tuning_Parameters), | intent(in) | :: | tuning_parameters | |||
| logical, | intent(in) | :: | total_volume_can_change | |||
| type(json_file), | intent(inout) | :: | generating_data | |||
| character(len=*), | intent(in) | :: | prefix |
Nodes of different colours represent the following:
Solid arrows point from a procedure to one which it calls. Dashed arrows point from an interface to procedures which implement that interface. This could include the module procedures in a generic interface or the implementation in a submodule of an interface in a parent module. Where possible, edges connecting nodes are given different colours to make them easier to distinguish in large graphs.