Merge branch 'master' into develop

Trovemaster · Jul 18, 2020 · b9e126b · b9e126b
2 parents 8929e01 + dcb7a0b
commit b9e126b
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diff --git a/.gitignore b/.gitignore
@@ -12,6 +12,7 @@
 # Dev files
 *makefile_LINUXgfortranDBG
 
+
 # Windows image file caches
 Thumbs.db
 ehthumbs.db

diff --git a/MAKEFILES/LINUXgfortraninstall b/MAKEFILES/LINUXgfortraninstall
@@ -1,12 +1,10 @@
-Compiled on UBUNTU LINUX 14.04
+Compiled on UBUNTU LINUX 18.04
+
 Requirements:
 gfortran, lapack, libblas:
-run:
-sudo apt-get gfortran liblapack-dev libblas-dev 
 
-modify makefile using 
-
-FFLAGS = -O3 
-LAPACK = -llapack -L/usr/lib/lapack -lblas -L/usr/lib/libblas
+run:
+sudo apt install gfortran liblapack-dev libblas-dev 
 
-then run make
+then from Duo directory:
+make -f ./MAKEFILES/makefile_LINUXgfortran
diff --git a/MAKEFILES/makefile_LINUXgfortran b/MAKEFILES/makefile_LINUXgfortran
@@ -15,6 +15,8 @@ FOR = gfortran
 # Debugging options
 FFLAGS = -Og -g -Wall -Wextra -Wline-truncation -pedantic -fimplicit-none -fcheck=all -fbacktrace
 
+#FFLAGS = -O3
+
 LAPACK = -llapack -L/usr/lib/lapack -lblas -L/usr/lib/libblas
 LIB = $(LAPACK)
 

diff --git a/docs/source/fields.rst b/docs/source/fields.rst
@@ -67,14 +67,14 @@ Here is an example for a PEC showing the general structure:
 
 
 
-L2:  (alias: ``L**2``)
+``L2`` (alias: ``L**2``)
 ^^^^^^^^^^^^^^^^^^^^^^
 
 These objects represent matrix elements between electronic states of the molecule-fixed
  angular momentum operator :math:`\hat{L}^2 = \hat{L}_x^2 + \hat{L}_y^2 +\hat{L}_z^2`.
 
 
-L+:  (aliases: ``Lplus``, ``LxLy`` and ``Lx``) 
+``L+`` (aliases: ``Lplus``, ``LxLy`` and ``Lx``) 
 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
 
 
@@ -213,7 +213,7 @@ For any Duo object one can specify a corresponding reference curve as in the fol
 
 ``dipole-x`` is related to the Cartesian-representation.
 
-At the moment Duo cannot compute electric-quadrupole or magnetic dipole transition line intensities.
+At the moment Duo cannot compute magnetic dipole transition line intensities.
 
 .. _quadrupole-curves:
 
@@ -222,11 +222,12 @@ At the moment Duo cannot compute electric-quadrupole or magnetic dipole transiti
 
 The keyword ``quadrupole`` is used to specify transition quadrupole moment curves, which are necessary for computing electric-quadrupole transition line intensities and related quantities. The actual calculation of line strengths requires the ``quadrupole`` keyword in the ``intensity`` section also (:ref:`see here <computing-spectra>`).
 
+
 Keywords used in the specification of objects 
-=============================================
+^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
 
 Name and quantum numbers
-^^^^^^^^^^^^^^^^^^^^^^^^
+========================
 
 This is a list of keywords used to specify various parameters of Duo objects. 
 
@@ -318,7 +319,7 @@ The keywords ``g``/``u`` or ``+``/``-`` can appear in any order.
 
 
 Other control keys
-^^^^^^^^^^^^^^^^^^
+==================
 
 
 * ``type``: Type of the functional representaion. 
@@ -479,7 +480,7 @@ Example:
 
 
 Definition of the function or a grid 
-^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
+====================================
 
 
 * ``values``