X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fdata%2FMD_data.f90;h=d0fa7e68b8c250500a670424e3b1d9bdebf48700;hb=254aac5de5a2d56e17a059d77c5f32f7b77a41fa;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..d0fa7e6 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 + real(kind=8), dimension(5) :: pstok,gamp,stdfp 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 :: 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/