X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Fsrc%2Fgnmr1.f;fp=source%2Funres%2Fsrc_MD%2Fsrc%2Fgnmr1.f;h=0000000000000000000000000000000000000000;hb=0a11a2c4ccee14ed99ae44f2565b270ba8d4bbb6;hp=905e7460830cd69330c444d3b9ed7ceb0b4655dc;hpb=5eb407964903815242c59de10960f42761139e10;p=unres.git diff --git a/source/unres/src_MD/src/gnmr1.f b/source/unres/src_MD/src/gnmr1.f deleted file mode 100644 index 905e746..0000000 --- a/source/unres/src_MD/src/gnmr1.f +++ /dev/null @@ -1,43 +0,0 @@ - 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---------------------------------------------------------------------------------