quack/src/QuAcK/read_methods.f90

subroutine read_methods(doRHF,doUHF,doMOM,          & 
                        doMP2,doMP3,doMP2F12,       & 
                        doCCD,doCCSD,doCCSDT,       & 
                        doCIS,doTDHF,doppRPA,doADC, & 
                        doGF2,doGF3,                & 
                        doG0W0,doevGW,doqsGW,       & 
                        doG0T0,doevGT,doqsGT,       & 
                        doMCMP2)

! Read desired methods 

  implicit none

! Input variables

  logical,intent(out)           :: doRHF,doUHF,doMOM
  logical,intent(out)           :: doMP2,doMP3,doMP2F12
  logical,intent(out)           :: doCCD,doCCSD,doCCSDT
  logical,intent(out)           :: doCIS,doTDHF,doppRPA,doADC
  logical,intent(out)           :: doGF2,doGF3  
  logical,intent(out)           :: doG0W0,doevGW,doqsGW
  logical,intent(out)           :: doG0T0,doevGT,doqsGT
  logical,intent(out)           :: doMCMP2

! Local variables

  character(len=1)              :: answer1,answer2,answer3,answer4

! Open file with method specification

  open(unit=1,file='input/methods')

! Set all the booleans to false

  doRHF = .false.
  doUHF = .false.
  doMOM = .false.

  doMP2    = .false.
  doMP3    = .false.
  doMP2F12 = .false.
 
  doCCD   = .false.
  doCCSD  = .false.
  doCCSDT = .false.

  doCIS   = .false.
  doTDHF  = .false.
  doppRPA = .false.
  doADC   = .false.

  doGF2 = .false.
  doGF3 = .false.

  doG0W0 = .false.
  doevGT = .false.
  doqsGT = .false.

  doG0T0 = .false.
  doevGW = .false.
  doqsGW = .false.

  doMCMP2 = .false.

! Read mean-field methods

  read(1,*) 
  read(1,*) answer1,answer2,answer3
  if(answer1 == 'T') doRHF = .true.
  if(answer2 == 'T') doUHF = .true.
  if(answer3 == 'T') doMOM = .true.

! Read MPn methods

  read(1,*) 
  read(1,*) answer1,answer2,answer3
  if(answer1 == 'T') doMP2    = .true.
  if(answer2 == 'T') doMP3    = .true.
  if(answer3 == 'T') doMP2F12 = .true.

! Read CC methods

  read(1,*) 
  read(1,*) answer1,answer2,answer3
  if(answer1 == 'T') doCCD   = .true.
  if(answer2 == 'T') doCCSD  = .true.
  if(answer3 == 'T') doCCSDT = .true.

! Read excited state methods

  read(1,*) 
  read(1,*) answer1,answer2,answer3,answer4
  if(answer1 == 'T') doCIS   = .true.
  if(answer2 == 'T') doTDHF  = .true.
  if(answer3 == 'T') doppRPA = .true.
  if(answer4 == 'T') doADC   = .true.

! Read Green function methods

  read(1,*) 
  read(1,*) answer1,answer2
  if(answer1 == 'T') doGF2 = .true.
  if(answer2 == 'T') doGF3 = .true.

! Read GW methods

  read(1,*) 
  read(1,*) answer1,answer2,answer3
  if(answer1 == 'T') doG0W0 = .true.
  if(answer2 == 'T') doevGW = .true.
  if(answer3 == 'T') doqsGW = .true.

! Read GT methods

  read(1,*) 
  read(1,*) answer1,answer2,answer3
  if(answer1 == 'T') doG0T0 = .true.
  if(answer2 == 'T') doevGT = .true.
  if(answer3 == 'T') doqsGT = .true.

! Read stochastic methods

  read(1,*) 
  read(1,*) answer1
  if(answer1 == 'T') doMCMP2 = .true.

! Close file with geometry specification

  close(unit=1)

end subroutine read_methods