diff --git a/src/setparam.f90 b/src/setparam.f90 index f8e19ccdf..becd19d26 100644 --- a/src/setparam.f90 +++ b/src/setparam.f90 @@ -357,7 +357,7 @@ module xtb_setparam ! pcharge input file character(len=:),allocatable :: pcem_file character(len=:),allocatable :: pcem_grad - logical :: pcem_orca = .true. + logical :: pcem_orca = .false. ! controls which interactions included in the Fockian depend on the ! external point charges logical :: pcem_l_es = .true.