dump test routine

input/methods

@@ -1,5 +1,5 @@
 # RHF UHF GHF ROHF 
-  F   F   F   T   
+  T   F   F   F   
 # MP2 MP3 
   F   F   
 # CCD pCCD DCD CCSD CCSD(T) 
@@ -17,4 +17,4 @@
 # G0T0pp evGTpp qsGTpp G0T0eh evGTeh qsGTeh
   F      F      F      F      F      F
 # Rtest Utest Gtest
-  F     F     F
+  T     F     F

src/HF/GHF.f90

@@ -300,6 +300,8 @@ subroutine GHF(doGtest,maxSCF,thresh,max_diis,guess_type,mix,level_shift,nNuc,ZN
 
   if(doGtest) then
 
+    call dump_test_value('G','GHF energy',EHF)
+
   end if
 
 end subroutine 

src/HF/RHF.f90

@@ -204,6 +204,8 @@ subroutine RHF(doRtest,maxSCF,thresh,max_diis,guess_type,level_shift,nNuc,ZNuc,r
 ! Print test values
 
   if(doRtest) then
+ 
+    call dump_test_value('R','RHF energy',EHF)
 
   end if
 

src/HF/ROHF.f90

@@ -247,6 +247,8 @@ subroutine ROHF(doRtest,maxSCF,thresh,max_diis,guess_type,mix,level_shift,nNuc,Z
 
   if(doRtest) then
 
+    call dump_test_value('R','ROHF energy',EHF)
+
   end if
 
 end subroutine 

src/HF/UHF.f90

@@ -258,6 +258,8 @@ subroutine UHF(doUtest,maxSCF,thresh,max_diis,guess_type,mix,level_shift,nNuc,ZN
 
   if(doUtest) then
 
+    call dump_test_value('U','UHF energy',EHF)
+
   end if
 
 end subroutine