Type | Intent | Optional | Attributes | Name | ||
---|---|---|---|---|---|---|
type(ommp_qm_helper), | intent(inout), | pointer | :: | s |
OpenMMPol system |
|
integer(kind=ommp_integer), | intent(in) | :: | n |
Atoms to freeze |
||
integer(kind=ommp_integer), | intent(in) | :: | frozen(n) |
Atoms to freeze |