Implement Woods-Saxon confinement matrix elements

dftbplus · Jul 16, 2024 · 9e5998a · 9e5998a
1 parent 5f459c1
commit 9e5998a
Show file tree

Hide file tree

Showing 7 changed files with 700 additions and 174 deletions.
diff --git a/slateratom/lib/CMakeLists.txt b/slateratom/lib/CMakeLists.txt
@@ -9,7 +9,6 @@ list(APPEND fypp_flags -I${projectdir}/common/include -DRELEASE="'${RELEASE}'")
 set(sources-f90
   avgpot.f90
   blas.f90
-  confinement.f90
   core_overlap.f90
   coulomb_hfex.f90
   coulomb_potential.f90
@@ -33,6 +32,7 @@ set(sources-f90
 set(sources-fpp
   blasroutines.F90
   broydenmixer.F90
+  confinement.F90
   lapackroutines.F90
   simplemixer.F90)