subroutine read_options(debug,chemist_notation,ExpS,doOv,doKin,doNuc,doERI,doF12,doYuk,doErf,do3eInt,do4eInt) ! Read desired methods implicit none include 'parameters.h' ! Input variables logical,intent(out) :: debug logical,intent(out) :: chemist_notation double precision,intent(out) :: ExpS logical,intent(out) :: doOv logical,intent(out) :: doKin logical,intent(out) :: doNuc logical,intent(out) :: doERI logical,intent(out) :: doF12 logical,intent(out) :: doYuk logical,intent(out) :: doErf logical,intent(out) :: do3eInt(n3eInt) logical,intent(out) :: do4eInt(n4eInt) ! Local variables character(len=1) :: answer1,answer2,answer3,answer4 ! Open file with method specification open(unit=1,file='input/int') ! Read HF options debug = .false. chemist_notation = .false. ExpS = 1d0 doOv = .false. doKin = .false. doNuc = .false. doERI = .false. doF12 = .false. doYuk = .false. doErf = .false. do3eInt(1) = .false. do3eInt(2) = .false. do3eInt(3) = .false. do4eInt(1) = .false. do4eInt(2) = .false. do4eInt(3) = .false. ! Debugging mode read(1,*) read(1,*) answer1 if(answer1 == 'T') debug = .true. ! Chem or Phys notations? read(1,*) read(1,*) answer1 if(answer1 == 'T') chemist_notation = .true. ! Read exponent of Slater geminal read(1,*) read(1,*) ExpS write(*,'(A28)') '------------------' write(*,'(A28,1X,F16.10)') 'Slater geminal exponent',ExpS write(*,'(A28)') '------------------' write(*,*) ! One-electron integrals read(1,*) read(1,*) answer1,answer2,answer3 if(answer1 == 'T') doOv = .true. if(answer2 == 'T') doKin = .true. if(answer3 == 'T') doNuc = .true. ! Two-electron integrals read(1,*) read(1,*) answer1,answer2,answer3,answer4 if(answer1 == 'T') doERI = .true. if(answer2 == 'T') doF12 = .true. if(answer3 == 'T') doYuk = .true. if(answer4 == 'T') doErf = .true. ! Three-electron integrals read(1,*) read(1,*) answer1,answer2,answer3 if(answer1 == 'T') do3eInt(1) = .true. if(answer2 == 'T') do3eInt(2) = .true. if(answer3 == 'T') do3eInt(3) = .true. ! Four-electron integrals read(1,*) read(1,*) answer1,answer2,answer3 if(answer1 == 'T') do4eInt(1) = .true. if(answer2 == 'T') do4eInt(2) = .true. if(answer3 == 'T') do4eInt(3) = .true. ! Close file with options close(unit=1) end subroutine read_options