X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=source%2Fwham%2Fsrc-NEWSC-NEWCORR%2Finclude_unres%2FCOMMON.CALC;fp=source%2Fwham%2Fsrc-NEWSC-NEWCORR%2Finclude_unres%2FCOMMON.CALC;h=67b4bb9a8abbd09230961d6cd52b8226cb34fae2;hb=29c003540813cc9069004b6a049512ab7a8b411e;hp=0000000000000000000000000000000000000000;hpb=cdc95405c49b00f31b9f3fb678aaf9e7dbdcce14;p=unres.git diff --git a/source/wham/src-NEWSC-NEWCORR/include_unres/COMMON.CALC b/source/wham/src-NEWSC-NEWCORR/include_unres/COMMON.CALC new file mode 100644 index 0000000..67b4bb9 --- /dev/null +++ b/source/wham/src-NEWSC-NEWCORR/include_unres/COMMON.CALC @@ -0,0 +1,15 @@ + integer i,j,k,l + double precision erij,rij,xj,yj,zj,dxi,dyi,dzi,dxj,dyj,dzj, + & chi1,chi2,chi12,chip1,chip2,chip12,alf1,alf2,alf12,om1,om2,om12, + & om1om2,chiom1,chiom2,chiom12,chipom1,chipom2,chipom12,eps1, + & faceps1,faceps1_inv,eps1_om12,facsig,sigsq,sigsq_om1,sigsq_om2, + & sigsq_om12,facp,facp_inv,facp1,eps2rt,eps2rt_om1,eps2rt_om2, + & eps2rt_om12,eps3rt,eom1,eom2,eom12,evdwij,eps2der,eps3der,sigder, + & dsci_inv,dscj_inv,gg + common /calc/ erij(3),rij,xj,yj,zj,dxi,dyi,dzi,dxj,dyj,dzj, + & chi1,chi2,chi12,chip1,chip2,chip12,alf1,alf2,alf12,om1,om2,om12, + & om1om2,chiom1,chiom2,chiom12,chipom1,chipom2,chipom12,eps1, + & faceps1,faceps1_inv,eps1_om12,facsig,sigsq,sigsq_om1,sigsq_om2, + & sigsq_om12,facp,facp_inv,facp1,eps2rt,eps2rt_om1,eps2rt_om2, + & eps2rt_om12,eps3rt,eom1,eom2,eom12,evdwij,eps2der,eps3der,sigder, + & dsci_inv,dscj_inv,gg(3),i,j