X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=source%2Funres%2Fsrc_CSA%2Fgnmr1.f;fp=source%2Funres%2Fsrc_CSA%2Fgnmr1.f;h=905e7460830cd69330c444d3b9ed7ceb0b4655dc;hp=0000000000000000000000000000000000000000;hb=9453fc761eb545fcb727824c94d012dbf3931951;hpb=6f521277aa2a382d409f5189957283b0998b0d07

diff --git a/source/unres/src_CSA/gnmr1.f b/source/unres/src_CSA/gnmr1.f
new file mode 100644
index 0000000..905e746
--- /dev/null
+++ b/source/unres/src_CSA/gnmr1.f
@@ -0,0 +1,43 @@
+      double precision function gnmr1(y,ymin,ymax)
+      implicit none
+      double precision y,ymin,ymax
+      double precision wykl /4.0d0/
+      if (y.lt.ymin) then
+        gnmr1=(ymin-y)**wykl/wykl
+      else if (y.gt.ymax) then
+        gnmr1=(y-ymax)**wykl/wykl
+      else
+        gnmr1=0.0d0
+      endif
+      return
+      end
+c------------------------------------------------------------------------------
+      double precision function gnmr1prim(y,ymin,ymax)
+      implicit none
+      double precision y,ymin,ymax
+      double precision wykl /4.0d0/
+      if (y.lt.ymin) then
+        gnmr1prim=-(ymin-y)**(wykl-1)
+      else if (y.gt.ymax) then
+        gnmr1prim=(y-ymax)**(wykl-1)
+      else
+        gnmr1prim=0.0d0
+      endif
+      return
+      end
+c------------------------------------------------------------------------------
+      double precision function harmonic(y,ymax)
+      implicit none
+      double precision y,ymax
+      double precision wykl /2.0d0/
+      harmonic=(y-ymax)**wykl
+      return
+      end
+c-------------------------------------------------------------------------------
+      double precision function harmonicprim(y,ymax)
+      double precision y,ymin,ymax
+      double precision wykl /2.0d0/
+      harmonicprim=(y-ymax)*wykl
+      return
+      end
+c---------------------------------------------------------------------------------