mirror of https://github.com/pfloos/quack
cleanup read_methods
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@ -36,7 +36,7 @@ subroutine read_methods(doRHF,doUHF,doRMOM,doUMOM,doKS, &
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open(unit=1,file='input/methods')
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! Set all the booleans to false
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! Read mean-field methods
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doRHF = .false.
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doUHF = .false.
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@ -44,53 +44,6 @@ subroutine read_methods(doRHF,doUHF,doRMOM,doUMOM,doKS, &
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doUMOM = .false.
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doKS = .false.
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doMP2 = .false.
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doMP3 = .false.
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doCCD = .false.
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dopCCD = .false.
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doDCD = .false.
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doCCSD = .false.
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doCCSDT = .false.
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do_drCCD = .false.
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do_rCCD = .false.
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do_crCCD = .false.
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do_lCCD = .false.
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doCIS = .false.
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doCIS_D = .false.
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doCID = .false.
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doCISD = .false.
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doFCI = .false.
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dophRPA = .false.
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dophRPAx = .false.
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docrRPA = .false.
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doppRPA = .false.
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doG0F2 = .false.
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doevGF2 = .false.
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doqsGF2 = .false.
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doG0F3 = .false.
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doevGF3 = .false.
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doG0W0 = .false.
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doevGW = .false.
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doqsGW = .false.
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doSRGqsGW = .false.
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doufG0W0 = .false.
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doufGW = .false.
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doG0T0pp = .false.
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doevGTpp = .false.
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doqsGTpp = .false.
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doG0T0eh = .false.
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doevGTeh = .false.
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doqsGTeh = .false.
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! Read mean-field methods
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read(1,*)
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read(1,*) answer1,answer2,answer3,answer4,answer5
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if(answer1 == 'T') doRHF = .true.
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@ -101,6 +54,9 @@ subroutine read_methods(doRHF,doUHF,doRMOM,doUMOM,doKS, &
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! Read MPn methods
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doMP2 = .false.
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doMP3 = .false.
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read(1,*)
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read(1,*) answer1,answer2
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if(answer1 == 'T') doMP2 = .true.
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@ -108,6 +64,12 @@ subroutine read_methods(doRHF,doUHF,doRMOM,doUMOM,doKS, &
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! Read CC methods
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doCCD = .false.
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dopCCD = .false.
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doDCD = .false.
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doCCSD = .false.
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doCCSDT = .false.
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read(1,*)
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read(1,*) answer1,answer2,answer3,answer4,answer5
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if(answer1 == 'T') doCCD = .true.
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@ -117,6 +79,12 @@ subroutine read_methods(doRHF,doUHF,doRMOM,doUMOM,doKS, &
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if(answer5 == 'T') doCCSDT = .true.
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! Read weird CC methods
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do_drCCD = .false.
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do_rCCD = .false.
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do_crCCD = .false.
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do_lCCD = .false.
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read(1,*)
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read(1,*) answer1,answer2,answer3,answer4
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if(answer1 == 'T') do_drCCD = .true.
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@ -124,7 +92,13 @@ subroutine read_methods(doRHF,doUHF,doRMOM,doUMOM,doKS, &
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if(answer3 == 'T') do_crCCD = .true.
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if(answer4 == 'T') do_lCCD = .true.
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! Read excited state methods
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! Read CI methods
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doCIS = .false.
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doCIS_D = .false.
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doCID = .false.
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doCISD = .false.
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doFCI = .false.
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read(1,*)
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read(1,*) answer1,answer2,answer3,answer4,answer5
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@ -135,6 +109,13 @@ subroutine read_methods(doRHF,doUHF,doRMOM,doUMOM,doKS, &
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if(answer5 == 'T') doFCI = .true.
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if(doCIS_D) doCIS = .true.
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! Read RPA methods
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dophRPA = .false.
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dophRPAx = .false.
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docrRPA = .false.
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doppRPA = .false.
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read(1,*)
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read(1,*) answer1,answer2,answer3,answer4
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if(answer1 == 'T') dophRPA = .true.
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@ -142,7 +123,13 @@ subroutine read_methods(doRHF,doUHF,doRMOM,doUMOM,doKS, &
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if(answer3 == 'T') docrRPA = .true.
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if(answer4 == 'T') doppRPA = .true.
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! Read Green function methods
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! Read Green's function methods
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doG0F2 = .false.
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doevGF2 = .false.
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doqsGF2 = .false.
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doG0F3 = .false.
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doevGF3 = .false.
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read(1,*)
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read(1,*) answer1,answer2,answer3,answer4,answer5
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@ -154,6 +141,13 @@ subroutine read_methods(doRHF,doUHF,doRMOM,doUMOM,doKS, &
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! Read GW methods
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doG0W0 = .false.
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doevGW = .false.
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doqsGW = .false.
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doSRGqsGW = .false.
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doufG0W0 = .false.
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doufGW = .false.
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read(1,*)
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read(1,*) answer1,answer2,answer3,answer4,answer5,answer6
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if(answer1 == 'T') doG0W0 = .true.
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@ -165,6 +159,13 @@ subroutine read_methods(doRHF,doUHF,doRMOM,doUMOM,doKS, &
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! Read GT methods
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doG0T0pp = .false.
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doevGTpp = .false.
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doqsGTpp = .false.
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doG0T0eh = .false.
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doevGTeh = .false.
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doqsGTeh = .false.
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read(1,*)
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read(1,*) answer1,answer2,answer3,answer4,answer5,answer6
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if(answer1 == 'T') doG0T0pp = .true.
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