X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=source%2Funres%2Fdata%2Fenergy_data.f90;h=6083686ea82ad1285bc959bae43a437afdabd574;hb=e42cb389c07a8bdb6de95554720f33e09c701cce;hp=89d46823018a04af4af8bef4da3fd2267122febd;hpb=d62d8388175880fb6700daba86794663aeb3a78d;p=unres4.git diff --git a/source/unres/data/energy_data.f90 b/source/unres/data/energy_data.f90 index 89d4682..6083686 100644 --- a/source/unres/data/energy_data.f90 +++ b/source/unres/data/energy_data.f90 @@ -67,7 +67,7 @@ wturn6,wvdwpp,wliptran,wshield,lipscale,wtube, & wbond_nucl,wang_nucl,wcorr_nucl,wcorr3_nucl,welpp,wtor_nucl,& wtor_d_nucl,welsb,wsbloc,wvdwsb,welpsb,wvdwpp_nucl,wvdwpsb,wcatprot,& - wcatcat,wscbase,wpepbase + wcatcat,wscbase,wpepbase,wscpho,wpeppho #ifdef CLUSTER real(kind=8) :: scalscp #endif @@ -356,4 +356,17 @@ real(kind=8),dimension(:,:), allocatable :: alphasur_pepbase, & wdipdip_pepbase,chi_pepbase,chipp_pepbase,chis_pepbase + real(kind=8),dimension(:), allocatable :: eps_scpho, & + sigma_scpho, & + sigmap1_scpho,sigmap2_scpho,& + aa_scpho,bb_scpho,wqq_scpho,epsintab_scpho,alphapol_scpho,& + rborn_scphoi,rborn_scphoj,dhead_scphoi + + real(kind=8),dimension(:,:), allocatable :: alphasur_scpho, & + chi_scpho,chipp_scpho,chis_scpho, & + wqdip_scpho + real(kind=8) ,dimension(4) :: alphasur_peppho + real(kind=8) ,dimension(2) :: wqdip_peppho + real(kind=8) :: eps_peppho,sigma_peppho,sigmap1_peppho,sigmap2_peppho, & + aa_peppho,bb_peppho end module energy_data