mirror of
https://github.com/pfloos/quack
synced 2024-06-02 11:25:28 +02:00
182 lines
4.9 KiB
Fortran
182 lines
4.9 KiB
Fortran
subroutine read_methods(doRHF,doUHF,doRMOM,doUMOM,doKS, &
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doMP2,doMP3, &
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doCCD,dopCCD,doDCD,doCCSD,doCCSDT, &
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do_drCCD,do_rCCD,do_crCCD,do_lCCD, &
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doCIS,doCIS_D,doCID,doCISD,doFCI, &
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dophRPA,dophRPAx,docrRPA,doppRPA, &
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doG0F2,doevGF2,doqsGF2, &
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doG0F3,doevGF3, &
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doG0W0,doevGW,doqsGW,doSRGqsGW, &
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doufG0W0,doufGW, &
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doG0T0pp,doevGTpp,doqsGTpp, &
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doG0T0eh,doevGTeh,doqsGTeh)
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! Read desired methods
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implicit none
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! Input variables
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logical,intent(out) :: doRHF,doUHF,doRMOM,doUMOM,doKS
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logical,intent(out) :: doMP2,doMP3
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logical,intent(out) :: doCCD,dopCCD,doDCD,doCCSD,doCCSDT
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logical,intent(out) :: do_drCCD,do_rCCD,do_crCCD,do_lCCD
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logical,intent(out) :: doCIS,doCIS_D,doCID,doCISD,doFCI
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logical,intent(out) :: dophRPA,dophRPAx,docrRPA,doppRPA
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logical,intent(out) :: doG0F2,doevGF2,doqsGF2,doG0F3,doevGF3
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logical,intent(out) :: doG0W0,doevGW,doqsGW,doSRGqsGW,doufG0W0,doufGW
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logical,intent(out) :: doG0T0pp,doevGTpp,doqsGTpp
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logical,intent(out) :: doG0T0eh,doevGTeh,doqsGTeh
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! Local variables
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character(len=1) :: answer1,answer2,answer3,answer4,answer5,answer6
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! Open file with method specification
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open(unit=1,file='input/methods')
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! Set all the booleans to false
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doRHF = .false.
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doUHF = .false.
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doRMOM = .false.
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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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if(answer2 == 'T') doUHF = .true.
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if(answer3 == 'T') doRMOM = .true.
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if(answer4 == 'T') doUMOM = .true.
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if(answer5 == 'T') doKS = .true.
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! Read MPn methods
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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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if(answer2 == 'T') doMP3 = .true.
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! Read CC 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') doCCD = .true.
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if(answer2 == 'T') dopCCD = .true.
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if(answer3 == 'T') doDCD = .true.
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if(answer4 == 'T') doCCSD = .true.
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if(answer5 == 'T') doCCSDT = .true.
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! Read weird CC methods
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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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if(answer2 == 'T') do_rCCD = .true.
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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(1,*)
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read(1,*) answer1,answer2,answer3,answer4,answer5
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if(answer1 == 'T') doCIS = .true.
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if(answer2 == 'T') doCIS_D = .true.
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if(answer3 == 'T') doCID = .true.
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if(answer4 == 'T') doCISD = .true.
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if(answer5 == 'T') doFCI = .true.
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if(doCIS_D) doCIS = .true.
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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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if(answer2 == 'T') dophRPAx = .true.
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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(1,*)
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read(1,*) answer1,answer2,answer3,answer4,answer5
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if(answer1 == 'T') doG0F2 = .true.
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if(answer2 == 'T') doevGF2 = .true.
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if(answer3 == 'T') doqsGF2 = .true.
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if(answer4 == 'T') doG0F3 = .true.
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if(answer5 == 'T') doevGF3 = .true.
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! Read GW methods
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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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if(answer2 == 'T') doevGW = .true.
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if(answer3 == 'T') doqsGW = .true.
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if(answer4 == 'T') doSRGqsGW = .true.
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if(answer5 == 'T') doufG0W0 = .true.
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if(answer6 == 'T') doufGW = .true.
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! Read GT methods
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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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if(answer2 == 'T') doevGTpp = .true.
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if(answer3 == 'T') doqsGTpp = .true.
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if(answer4 == 'T') doG0T0eh = .true.
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if(answer5 == 'T') doevGTeh = .true.
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if(answer6 == 'T') doqsGTeh = .true.
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! Close file with geometry specification
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close(unit=1)
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end subroutine
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