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Merge pull request #190 from Ydrnan/qp2_dev

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dipole moments x,y,z
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Anthony Scemama 2022-03-16 10:26:33 +01:00 committed by GitHub
commit 44d953b47c
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2 changed files with 4 additions and 2 deletions
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4
src/determinants/dipole_moments.irp.f
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@ -55,11 +55,13 @@ END_PROVIDER
subroutine print_z_dipole_moment_only subroutine print_dipole_moments
implicit none implicit none
print*, '' print*, ''
print*, '' print*, ''
print*, '****************************************' print*, '****************************************'
print*, 'x_dipole_moment = ',x_dipole_moment
print*, 'y_dipole_moment = ',y_dipole_moment
print*, 'z_dipole_moment = ',z_dipole_moment print*, 'z_dipole_moment = ',z_dipole_moment
print*, '****************************************' print*, '****************************************'
end end

2
src/tools/print_dipole.irp.f
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@ -1,5 +1,5 @@
program print_dipole program print_dipole
implicit none implicit none
call print_z_dipole_moment_only call print_dipole_moments
end end