merged

src/CISD/README.rst

@@ -23,14 +23,14 @@ Documentation
 .. Do not edit this section. It was auto-generated from the
 .. NEEDED_MODULES file.
 
-`fill_h_apply_buffer_cisd <http://github.com/LCPQ/quantum_package/tree/master/src/CISD/H_apply.irp.f#L6>`_
+`fill_h_apply_buffer_cisd <http://github.com/LCPQ/quantum_package/tree/master/src/CISD/H_apply.irp.f#L/subroutine fill_H_apply_buffer_cisd(n_selected,det_buffer,Nint)/;">`_
   Fill the H_apply buffer with determiants for CISD
 
-`h_apply_cisd <http://github.com/LCPQ/quantum_package/tree/master/src/CISD/H_apply.irp.f#L43>`_
+`h_apply_cisd <http://github.com/LCPQ/quantum_package/tree/master/src/CISD/H_apply.irp.f#L/subroutine H_apply_cisd/;">`_
   Calls H_apply on the HF determinant and selects all connected single and double
   excitations (of the same symmetry).
 
-`cisd <http://github.com/LCPQ/quantum_package/tree/master/src/CISD/cisd.irp.f#L1>`_
+`cisd <http://github.com/LCPQ/quantum_package/tree/master/src/CISD/cisd.irp.f#L/subroutine cisd/;">`_
 None
 
 

src/Makefile.config.example

@@ -1,29 +0,0 @@
-OPENMP  =1
-PROFILE =0
-DEBUG  = 0
-
-IRPF90_FLAGS+= --align=32
-FC     = ifort -g 
-FCFLAGS= 
-FCFLAGS+= -xHost
-#FCFLAGS+= -xAVX
-FCFLAGS+= -O2 
-FCFLAGS+= -ip 
-FCFLAGS+= -opt-prefetch
-FCFLAGS+= -ftz
-MKL=-mkl=parallel 
-
-ifeq ($(PROFILE),1)
-FC    += -p -g
-CXX   += -pg
-endif
-
-ifeq ($(OPENMP),1)
-FC    += -openmp
-CXX   += -fopenmp
-endif
-
-ifeq ($(DEBUG),1)
-FC    += -C -traceback -fpe0
-#FCFLAGS =-O0
-endif

src/README.rst

@@ -130,3 +130,11 @@ Needed Modules
 * `DensityMatrix <http://github.com/LCPQ/quantum_package/tree/master/src/DensityMatrix>`_
 * `CISD <http://github.com/LCPQ/quantum_package/tree/master/src/CISD>`_
 
+Documentation
+=============
+
+.. Do not edit this section. It was auto-generated from the
+.. NEEDED_MODULES file.
+
+
+