gfortran errors
authorCezary Czaplewski <czarek@chem.univ.gda.pl>
Tue, 26 Sep 2017 18:24:47 +0000 (20:24 +0200)
committerCezary Czaplewski <czarek@chem.univ.gda.pl>
Tue, 26 Sep 2017 18:24:47 +0000 (20:24 +0200)
source/cluster/wham/src-M/initialize_p.F
source/cluster/wham/src-M/ssMD.F

index d234763..40d035c 100644 (file)
@@ -260,12 +260,12 @@ c-------------------------------------------------------------------------
      &   "ECORR6 ","EELLO ","ETURN3 ","ETURN4 ","ETURN6 ",
      &   "EBE bend","ESC SCloc","ETORS ","ETORSD ","EHPB","EVDWPP",
      &   "EVDW2_14","ESTR","ESCCOR","EDIHC","EVDW_T","ELIPTRAN",
-     &   "EAFM","ETHETC"/
+     &   "EAFM","ETHETC",""/
       data wname /
      &   "WSC","WSCP","WELEC","WCORR","WCORR5","WCORR6","WEL_LOC",
      &   "WTURN3","WTURN4","WTURN6","WANG","WSCLOC","WTOR","WTORD",
      &   "WHPB","WVDWPP","WSCP14","WBOND","WSCCOR","WDIHC","WSC",
-     &   "WLIPTRAN","WAFM","WTHETC"/
+     &   "WLIPTRAN","WAFM","WTHETC",""/
       data nprint_ene /22/
       data print_order /1,2,3,18,11,12,13,14,4,5,6,7,8,9,10,19,
      &  16,15,17,20,21,24,22,23,0/
index 42983f8..1fd3325 100644 (file)
@@ -126,6 +126,7 @@ c      integer itypi,itypj,k,l
       double precision d_ssxm(1:3),d_ljxm(1:3),d_ssm(1:3),d_ljm(1:3)
       double precision f1,f2,h1,h2,hd1,hd2
       double precision omega,delta_inv,deltasq_inv,fac1,fac2
+      double precision xi,yi,zi
 c-------FIRST METHOD
       double precision xm,d_xm(1:3)
 c-------END FIRST METHOD