X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=source%2Funres%2Fdata%2FMD_data.f90;h=6087b9a1114dfd9ae3be879cf3f457b9f2108899;hb=04d0eb23476c67cc0cadc32bf09aa91c03e2dc15;hp=2bfe6e5421a772bb0db778d667a5d3dc64ea3773;hpb=8d2ab9ba185dbbc31bfe3d1c66d7e1c9d632463b;p=unres4.git diff --git a/source/unres/data/MD_data.f90 b/source/unres/data/MD_data.f90 index 2bfe6e5..6087b9a 100644 --- a/source/unres/data/MD_data.f90 +++ b/source/unres/data/MD_data.f90 @@ -64,15 +64,16 @@ integer :: dimen,dimen1,dimen3 integer :: lang,count_reset_moment,count_reset_vel ! common /inertia/ - real(kind=8) :: IP,mp - real(kind=8),dimension(:),allocatable :: ISC,msc !(ntyp+1) + real(kind=8),dimension(5) :: IP,mp + real(kind=8),dimension(:,:),allocatable :: ISC,msc !(ntyp+1) ! common /langevin/ - real(kind=8) :: rwat,etawat,stdfp,pstok,gamp!,Rb + real(kind=8) :: rwat,etawat,stdfp,gamp!,Rb + real(kind=8), dimension(5) :: pstok real(kind=8) :: cPoise=2.9361d0, Rb=0.001986d0 real(kind=8),dimension(:),allocatable :: gamsc !(ntyp1) real(kind=8),dimension(:),allocatable :: stdfsc !(ntyp) - real(kind=8),dimension(:),allocatable :: restok !(ntyp+1) + real(kind=8),dimension(:,:),allocatable :: restok !(ntyp+1) logical :: surfarea integer :: reset_fricmat ! common /mdpmpi/