From a346488c3a03ceb017d13702678042a068abd5f5 Mon Sep 17 00:00:00 2001 From: Manu Date: Sat, 17 May 2014 16:20:51 +0200 Subject: [PATCH] merged --- src/CISD/README.rst | 6 +++--- src/Makefile.config.example | 29 ----------------------------- src/README.rst | 8 ++++++++ 3 files changed, 11 insertions(+), 32 deletions(-) delete mode 100644 src/Makefile.config.example diff --git a/src/CISD/README.rst b/src/CISD/README.rst index ceb15b27..3af498d7 100644 --- a/src/CISD/README.rst +++ b/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 `_ +`fill_h_apply_buffer_cisd `_ Fill the H_apply buffer with determiants for CISD -`h_apply_cisd `_ +`h_apply_cisd `_ Calls H_apply on the HF determinant and selects all connected single and double excitations (of the same symmetry). -`cisd `_ +`cisd `_ None diff --git a/src/Makefile.config.example b/src/Makefile.config.example deleted file mode 100644 index 82e0ca27..00000000 --- a/src/Makefile.config.example +++ /dev/null @@ -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 diff --git a/src/README.rst b/src/README.rst index 9c6b5bcb..9df7f557 100644 --- a/src/README.rst +++ b/src/README.rst @@ -130,3 +130,11 @@ Needed Modules * `DensityMatrix `_ * `CISD `_ +Documentation +============= + +.. Do not edit this section. It was auto-generated from the +.. NEEDED_MODULES file. + + +