Cosmetic changes for release build

Make.user.gfortran

@@ -1,5 +1,5 @@
 export FC = gfortran
-export FC_FLAGS = -O3 -fno-automatic
+export FC_FLAGS = -O3 -fno-automatic -fallow-argument-mismatch
 export FC_LD =
 export FC_MPI= mpifort
 export OMPI_FC=${FC}

README.md

@@ -282,6 +282,10 @@ CSF(s):
     experiment with the other grid parameters,
     > and/or try the other method for initial estimation of the radial wave function for the continuum electron.
 
+    > **Please note:**
+    > Only the `rmcdhf` code has been adapted for continuum orbital calculations, not
+    `rmcdhf_mem`, `rmcdhf_mem_mpi` or `rmcdhf_mpi`.
+
 6. **Output**
 
     The calculated continuum orbital wave function will be stored in the `rwfn.out` file
@@ -346,11 +350,9 @@ P. Syty, M.P. Piłat, J.E. Sienkiewicz, _GRASPC - GRASP package adapted for the
 
 > **Please note:**
 > All the installation instructions for original GRASP
-> are also valid for that fork, just use the following command for cloning the repository:
-`
-git clone https://github.com/sylaspg/grasp-continuum.git
-`
-Further in this section there are original instructions, adapted for  GRASPC repository. **All the credits goes to the GRASP contributors, who prepared the installation procedure.**
+> are also valid for that fork, with the repository address changed to:
+`https://github.com/sylaspg/grasp-continuum.git`.
+Further in this section there are original instructions, adapted for the GRASPC repository. **All the credits goes to the GRASP contributors, who prepared the original installation procedure.**
 
 To compile and install GRASPC, first clone this Git repository:
 

src/appl/rmcdhf90/Makefile

@@ -2,6 +2,10 @@ EXE=${GRASP}/bin/rmcdhf
 LIBS=-L ${GRASP}/lib/ -ldvd90 -l9290 -lmod
 FC_MODULES= -I ${GRASP}/src/lib/libdvd90 -I ${GRASP}/src/lib/lib9290 -I ${GRASP}/src/lib/libmod
 
+# PS
+# References to the co_* files, related to the continuum orbitals calculations, have been added bellow
+# PS END
+
 OBJS= \
 	mpi_s.o \
 	dsubrs.o \
@@ -112,6 +116,13 @@ OBJS= \
 	scf_I.o \
 	strsum.o \
 	strsum_I.o \
+	co_spherical_bessel.o \
+	co_getmax.o \
+	co_save_to_file.o \
+	co_normalization.o \
+	co_phase_shift.o \
+	co_scattering_length.o \
+	co_add_polarization_potential.o \
 	rscfvu.o
 
 $(EXE): $(OBJS)