From dfe05c5cb5f3dd893e0fb96f3a16165c367ff8ed Mon Sep 17 00:00:00 2001
From: e3fm8 <wolf.widdra@physik.uni-halle.de>
Date: Fri, 8 Mar 2024 19:15:35 +0100
Subject: [PATCH] additive Lambin changed

---
 libhreels/mod_doeels.mod                      | Bin 0 -> 1848 bytes
 .../myEels20.cpython-38-x86_64-linux-gnu.so   | Bin 399696 -> 399688 bytes
 libhreels/myEels20.f90                        |   2 +-
 pyproject.toml                                |   2 +-
 4 files changed, 2 insertions(+), 2 deletions(-)
 create mode 100644 libhreels/mod_doeels.mod

diff --git a/libhreels/mod_doeels.mod b/libhreels/mod_doeels.mod
new file mode 100644
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diff --git a/libhreels/myEels20.cpython-38-x86_64-linux-gnu.so b/libhreels/myEels20.cpython-38-x86_64-linux-gnu.so
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diff --git a/libhreels/myEels20.f90 b/libhreels/myEels20.f90
index a91925b..73fbba9 100755
--- a/libhreels/myEels20.f90
+++ b/libhreels/myEels20.f90
@@ -982,7 +982,7 @@ subroutine seteps(nos, osc_size, osc, epsinf, wn, nLayer, eps)
         deno =deno * (osc(1,j)**2 - wn * dcmplx( wn, osc(3,j) ) )
       
       else if (osc(1,j) < 0.) then! Negative TO mode means: _Additive_ Lorentz oscillator with Q
-        addeps = addeps + osc(1,j)**2 * osc(2,j) /dcmplx(osc(1,j)**2 + wn2, wn*osc(3,j))
+        addeps = addeps + osc(1,j)**2 * osc(2,j) /dcmplx(osc(1,j)**2 - wn2, wn*osc(3,j))
       
       else                      ! osc(1,j) = 0   -> it is a Drude term
         addeps = addeps - dcmplx(osc(1,j+m)**2, wn*(osc(3,j)-osc(3,j+m))) /dcmplx(wn2, wn*osc(3,j))
diff --git a/pyproject.toml b/pyproject.toml
index aa8895a..eb153fc 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -1,6 +1,6 @@
 [tool.poetry]
 name = "libhreels"
-version = "2.0.3"
+version = "2.1.0"
 description = "Handling, simulating, and plotting HREELS and Auger spectroscopy data"
 authors = ["Wolf Widdra <wolf.widdra@physik.uni-halle.de>"]
 include = ["*./libhreels/*"]
-- 
GitLab