rename

[unres4.git] / source / unres / data / REMD_data.F90

diff --git a/source/unres/data/REMD_data.F90 b/source/unres/data/REMD_data.F90
new file mode 100644 (file)
index 0000000..3527922
--- /dev/null
+++ b/source/unres/data/REMD_data.F90
@@ -0,0 +1,26 @@
+      module REMD_data
+!-----------------------------------------------------------------------------
+! Maximum number of conformation stored in cache on each CPU before sending
+! to master; depends on nstex / ntwx ratio
+      integer,parameter :: max_cache_traj=10
+!-----------------------------------------------------------------------------
+! commom.remd
+!      common /remdcommon/
+      integer :: nrep,nstex,i_sync_step
+      real(kind=8) :: retmin,retmax
+      real(kind=8),dimension(:),allocatable :: remd_t !(maxprocs)
+      logical :: remd_tlist,remd_mlist,mremdsync,restart1file,traj1file
+      integer,dimension(:),allocatable :: remd_m !(maxprocs)
+!      common /remdrestart/
+      integer(kind=2),dimension(:),allocatable :: i2rep !,i2set !(0:maxprocs)
+!      common /traj1cache/
+      integer :: max_cache_traj_use
+!-----------------------------------------------------------------------------
+!      common /przechowalnia/ subroutines: friction_force,setup_fricmat
+!      real(kind=8),dimension(:,:),allocatable :: ginvfric !(2*nres,2*nres) !maxres2=2*maxres
+!-----------------------------------------------------------------------------
+!      common /przechowalnia/ subroutine: setup_fricmat
+!      real(kind=8),dimension(:,:),allocatable :: fcopy !(2*nres,2*nres)
+!-----------------------------------------------------------------------------
+!-----------------------------------------------------------------------------
+      end module REMD_data