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minor change in handling of calls to diagonalize_ci

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Kevin Gasperich 2020-07-10 14:06:39 -05:00
parent 14c6eaeb74
commit 4349e13c93
1 changed files with 10 additions and 1 deletions
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src/davidson/diagonalize_ci.irp.f
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@ -411,6 +411,15 @@ END_PROVIDER
END_PROVIDER
subroutine diagonalize_ci
implicit none
if (is_complex) then
call diagonalize_ci_complex
else
call diagonalize_ci_real
endif
end
subroutine diagonalize_CI_complex
implicit none
BEGIN_DOC
@ -429,7 +438,7 @@ subroutine diagonalize_CI_complex
SOFT_TOUCH psi_coef_complex CI_electronic_energy_complex ci_energy CI_eigenvectors_complex CI_s2_complex psi_energy psi_s2
end
subroutine diagonalize_CI
subroutine diagonalize_CI_real
implicit none
BEGIN_DOC
! Replace the coefficients of the |CI| states by the coefficients of the