X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2FCOMMON.DERIV;h=407acfd6a3ab2ef4ec58e8dffb0240bb2da5b591;hb=82175e15828d8aa5385d50d1a140bc736afc90c3;hp=8082b0a1ddaf63d7dd624eedac53f4e8358f0102;hpb=a8d848a53132a158ba39f3aa1cb20cb382d18f84;p=unres.git diff --git a/source/unres/src_MD-M/COMMON.DERIV b/source/unres/src_MD-M/COMMON.DERIV index 8082b0a..407acfd 100644 --- a/source/unres/src_MD-M/COMMON.DERIV +++ b/source/unres/src_MD-M/COMMON.DERIV @@ -1,8 +1,11 @@ - double precision dcdv,dxdv,dxds,gradx,gradc,gvdwc,gelc,gelc_long + double precision dcdv,dxdv,dxds,gradx,gradc,gvdwc,gelc,gelc_long, & gvdwpp,gel_loc,gel_loc_long,gvdwc_scpp,gliptranc,gliptranx, & gradx_scp,gvdwc_scp,ghpbx,ghpbc,gloc,gloc_x,dtheta,dphi,dalpha, & domega,gscloc,gsclocx,gradcorr,gradcorr_long,gradcorr5_long, - & gradcorr6_long,gcorr6_turn_long,gvdwx + & gradcorr6_long,gcorr6_turn_long,gvdwx,gradafm,gradxorr,gradcorr5, + &gradcorr6,gcorr3_turn,gcorr4_turn,gcorr6,gcorr6_turn,gradb,gradbx, + & gel_loc_loc,gel_loc_turn3,gel_loc_turn4,gel_loc_turn6,gcorr_loc, + & g_corr5_loc,g_corr6_loc,gsccorc,gsccorx,gsccor_loc,gsaxsC,gsaxsX integer nfl,icg common /derivat/ dcdv(6,maxdim),dxdv(6,maxdim),dxds(6,maxres), & gradx(3,-1:maxres,2),gradc(3,-1:maxres,2),gvdwx(3,-1:maxres), @@ -12,8 +15,9 @@ & gliptranx(3,-1:maxres), & gradafm(3,-1:maxres), & gradx_scp(3,-1:maxres),gvdwc_scp(3,-1:maxres), - & ghpbx(3,-1:maxres), - & ghpbc(3,-1:maxres),gloc(maxvar,2),gradcorr(3,-1:maxres), + & ghpbx(3,-1:maxres),ghpbc(3,-1:maxres), + & gsaxsC(3,-1:maxres),gsaxsX(3,-1:maxres), + & gloc(maxvar,2),gradcorr(3,-1:maxres), & gradcorr_long(3,-1:maxres),gradcorr5_long(3,-1:maxres), & gradcorr6_long(3,-1:maxres),gcorr6_turn_long(3,-1:maxres), & gradxorr(3,-1:maxres),gradcorr5(3,-1:maxres),