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dump test routine
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@ -1,5 +1,5 @@
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# RHF UHF GHF ROHF
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F F F T
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T F F F
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# MP2 MP3
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F F
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# CCD pCCD DCD CCSD CCSD(T)
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@ -17,4 +17,4 @@
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# G0T0pp evGTpp qsGTpp G0T0eh evGTeh qsGTeh
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F F F F F F
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# Rtest Utest Gtest
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F F F
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T F F
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@ -300,6 +300,8 @@ subroutine GHF(doGtest,maxSCF,thresh,max_diis,guess_type,mix,level_shift,nNuc,ZN
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if(doGtest) then
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call dump_test_value('G','GHF energy',EHF)
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end if
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end subroutine
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@ -205,6 +205,8 @@ subroutine RHF(doRtest,maxSCF,thresh,max_diis,guess_type,level_shift,nNuc,ZNuc,r
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if(doRtest) then
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call dump_test_value('R','RHF energy',EHF)
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end if
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end subroutine
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@ -247,6 +247,8 @@ subroutine ROHF(doRtest,maxSCF,thresh,max_diis,guess_type,mix,level_shift,nNuc,Z
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if(doRtest) then
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call dump_test_value('R','ROHF energy',EHF)
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end if
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end subroutine
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@ -258,6 +258,8 @@ subroutine UHF(doUtest,maxSCF,thresh,max_diis,guess_type,mix,level_shift,nNuc,ZN
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if(doUtest) then
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call dump_test_value('U','UHF energy',EHF)
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end if
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end subroutine
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