ajwt · ajwt · Dec 13, 2021 · Dec 14, 2021 · Dec 15, 2021 · Dec 15, 2021
diff --git a/.gitignore b/.gitignore
@@ -2,3 +2,7 @@
 *sublime*
 *.mod
 *.o
+build/
+original_projects/
+els.x
+dat/
diff --git a/CMakeLists.txt b/CMakeLists.txt
@@ -0,0 +1,23 @@
+# References: 
+# https://gitlab.kitware.com/cmake/community/-/wikis/doc/cmake/languages/fortran/ForFortranExample
+# https://fortranwiki.org/fortran/show/Build+tools
+
+cmake_minimum_required (VERSION 3.12)
+project (els)
+enable_language (Fortran)
+
+if (CMAKE_Fortran_COMPILER_ID MATCHES "GNU")
+    set (dialect "-ffree-form -std=f2008 -fimplicit-none -fopenmp -O3 -ffast-math")
+    set (extras "-fcheck=all -Wall -ggdb -O0")
+endif ()
+if (CMAKE_Fortran_COMPILER_ID MATCHES "Intel")
+    set (dialect "-stand f08 -free -implicitnone -qopenmp -O3")
+    set (extras "-check bounds -O0")
+endif ()
+
+set (CMAKE_Fortran_FLAGS_DEBUG "${CMAKE_Fortran_FLAGS_DEBUG} ${extras}")
+set (CMAKE_Fortran_FLAGS "${CMAKE_Fortran_FLAGS} ${dialect}")
+
+file (GLOB_RECURSE sources src/*.f90 src/*.F90)
+add_executable(els.x ${sources})
+target_link_libraries (els.x /opt/OpenBLAS/lib/libopenblas.a -lpthread)
diff --git a/Project#01/fortran/Makefile → Makefile.old b/Project#01/fortran/Makefile → Makefile.old
@@ -15,7 +15,7 @@ FC = gfortran
 			$(FC) $(FFLAGS) -c $<
 
 # Declare all files
-OBJ = const.F90 geom_read_in.f90 geom_utils.f90 main.F90
+OBJ = const.F90 system.f90 read_in_integrals.f90 main.F90
 
 # Rules for making
 els.x: $(OBJ)

diff --git a/Project#01/README.md b/Project#01/README.md
diff --git a/Project#01/eigen.tar.gz b/Project#01/eigen.tar.gz
diff --git a/Project#01/figures/.DS_Store b/Project#01/figures/.DS_Store
diff --git a/Project#01/figures/bond-angle.pdf b/Project#01/figures/bond-angle.pdf
diff --git a/Project#01/figures/bond-angle.png b/Project#01/figures/bond-angle.png
diff --git a/Project#01/figures/center-of-mass.pdf b/Project#01/figures/center-of-mass.pdf
diff --git a/Project#01/figures/center-of-mass.png b/Project#01/figures/center-of-mass.png
diff --git a/Project#01/figures/determinant.png b/Project#01/figures/determinant.png
diff --git a/Project#01/figures/distances.pdf b/Project#01/figures/distances.pdf
diff --git a/Project#01/figures/distances.png b/Project#01/figures/distances.png
diff --git a/Project#01/figures/distances2.png b/Project#01/figures/distances2.png
diff --git a/Project#01/figures/inertia-diag.pdf b/Project#01/figures/inertia-diag.pdf
diff --git a/Project#01/figures/inertia-diag.png b/Project#01/figures/inertia-diag.png
diff --git a/Project#01/figures/inertia-off-diag.pdf b/Project#01/figures/inertia-off-diag.pdf
diff --git a/Project#01/figures/inertia-off-diag.png b/Project#01/figures/inertia-off-diag.png
diff --git a/Project#01/figures/oop-angle.pdf b/Project#01/figures/oop-angle.pdf
diff --git a/Project#01/figures/oop-angle.png b/Project#01/figures/oop-angle.png
diff --git a/Project#01/figures/principal-mom-of-inertia.pdf b/Project#01/figures/principal-mom-of-inertia.pdf
diff --git a/Project#01/figures/principal-mom-of-inertia.png b/Project#01/figures/principal-mom-of-inertia.png
diff --git a/Project#01/figures/rot-const.pdf b/Project#01/figures/rot-const.pdf
diff --git a/Project#01/figures/rot-const.png b/Project#01/figures/rot-const.png
diff --git a/Project#01/figures/torsion-angle.pdf b/Project#01/figures/torsion-angle.pdf
diff --git a/Project#01/figures/torsion-angle.png b/Project#01/figures/torsion-angle.png
diff --git a/Project#01/figures/unit-vectors.pdf b/Project#01/figures/unit-vectors.pdf
diff --git a/Project#01/figures/unit-vectors.png b/Project#01/figures/unit-vectors.png
diff --git a/Project#01/fortran/els.x b/Project#01/fortran/els.x
diff --git a/Project#01/fortran/geom.dat b/Project#01/fortran/geom.dat
diff --git a/Project#01/fortran/geom_read_in.f90 b/Project#01/fortran/geom_read_in.f90
diff --git a/Project#01/fortran/geom_utils.f90 b/Project#01/fortran/geom_utils.f90
diff --git a/Project#01/fortran/main.F90 b/Project#01/fortran/main.F90
diff --git a/Project#01/fortran/parallel.F90 b/Project#01/fortran/parallel.F90
diff --git a/Project#01/hints/hint1-1.md b/Project#01/hints/hint1-1.md
diff --git a/Project#01/hints/hint1-2.md b/Project#01/hints/hint1-2.md
diff --git a/Project#01/hints/hint1-3.md b/Project#01/hints/hint1-3.md
diff --git a/Project#01/hints/hint2-1.md b/Project#01/hints/hint2-1.md
-Original file line number
+Diff line change
@@ Expand Up / @@ -2,3 +2,7 @@ @@
     *sublime*
     *.mod
     *.o
+    build/
+    original_projects/
+    els.x
+    dat/