From 8f8001fd09f0d06b888e54106252d9a72c3f356a Mon Sep 17 00:00:00 2001
From: ydamour <yann.damour@hotmail.fr>
Date: Sat, 11 Mar 2023 22:12:48 +0100
Subject: [PATCH] add some conversions factors

---
 src/utils/units.irp.f | 34 ++++++++++++++++++++++------------
 1 file changed, 22 insertions(+), 12 deletions(-)

diff --git a/src/utils/units.irp.f b/src/utils/units.irp.f
index 1850b28b..51dcec82 100644
--- a/src/utils/units.irp.f
+++ b/src/utils/units.irp.f
@@ -1,22 +1,32 @@
 BEGIN_PROVIDER [double precision, ha_to_ev]
+&BEGIN_PROVIDER [double precision, au_to_D]
+&BEGIN_PROVIDER [double precision, planck_cte]
+&BEGIN_PROVIDER [double precision, light_speed]
+&BEGIN_PROVIDER [double precision, Ha_to_J]
+&BEGIN_PROVIDER [double precision, Ha_to_nm]
 
   implicit none
+
   BEGIN_DOC
-  ! Converstion from Hartree to eV
+  ! Some conversion between different units
   END_DOC
 
-  ha_to_ev = 27.211396641308d0
-
-END_PROVIDER
-
-BEGIN_PROVIDER [double precision, au_to_D]
-
-  implicit none
-  BEGIN_DOC
-  ! Converstion from au to Debye
-  END_DOC
+  ! Hartree to eV
+  Ha_to_eV = 27.211396641308d0
 
+  ! au to Debye
   au_to_D = 2.5415802529d0
 
-END_PROVIDER
+  ! Planck's constant in SI units
+  planck_cte = 6.62606957d-34
 
+  ! Light speed in SI units
+  light_speed = 2.99792458d10
+
+  ! Hartree to Joule
+  Ha_to_J = 4.35974434d-18
+
+  ! Hartree to nm
+  Ha_to_nm = 1d9 * (planck_cte * light_speed) / Ha_to_J
+
+END_PROVIDER