X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2FCOMMON.MD;h=6ce6a3f64d37d2df185b1ddce51faeb0b43dd417;hb=a3ef63eda7d771657cc2df1d275e0a03a5cc1966;hp=22dba7c668cbacd825ff0f1c0c7477a174ccc6c9;hpb=a245815881bd894e34ef0474435ad1217631e636;p=unres.git diff --git a/source/unres/src_MD/COMMON.MD b/source/unres/src_MD/COMMON.MD index 22dba7c..6ce6a3f 100644 --- a/source/unres/src_MD/COMMON.MD +++ b/source/unres/src_MD/COMMON.MD @@ -66,9 +66,12 @@ & ng_start(0:MaxProcs-1),ng_counts(0:MaxProcs-1), & nginv_start(0:MaxProcs),nginv_counts(0:MaxProcs-1) double precision pi_np,pistar,s_np,s12_np,Q_np,E_old,H0,E_long, - & sold_np,d_t_half,Csplit + & sold_np,d_t_half,Csplit,hhh common /nosepoincare/ pi_np,pistar,s_np,s12_np,Q_np,E_old,H0, - & E_long,sold_np,d_t_half(3,0:MAXRES2),Csplit + & E_long,sold_np,d_t_half(3,0:MAXRES2),Csplit,hhh common /nosehoover/ glogs(maxmnh),qmass(maxmnh), & vlogs(maxmnh),xlogs(maxmnh), & nresn,nyosh,nnos,xiresp + integer hmc,hmc_acc + double precision dc_hmc,hmc_etot,totThmc + common /hmc_md/ dc_hmc(3,0:maxres2),hmc_etot,hmc,totThmc,hmc_acc