mirror of
https://github.com/LCPQ/quantum_package
synced 2024-08-14 16:48:32 +02:00
15 lines
257 B
Fortran
15 lines
257 B
Fortran
program swap_mos
|
|
implicit none
|
|
integer :: i,j, i1, i2
|
|
double precision :: x
|
|
print *, 'MOs to swap?'
|
|
read(*,*) i1, i2
|
|
do i=1,ao_num_align
|
|
x = mo_coef(i,i1)
|
|
mo_coef(i,i1) = mo_coef(i,i2)
|
|
mo_coef(i,i2) = x
|
|
enddo
|
|
call save_mos
|
|
|
|
end
|