Add scripts and .gitignore

README.md

@@ -1,4 +1,6 @@
-quantum_package
+Quantum package
 ===============
 
-Set of quantum chemistry programs and libraries
+Set of quantum chemistry programs and libraries.
+
+

scripts/prepare_module.sh

@@ -0,0 +1,14 @@
+#!/bin/bash
+
+# Checks if all the other module directories are properly linked in the
+# current directory. If not, the links are created.
+
+for dir in $@
+do
+  if [[ ! -h $dir ]] ;
+  then
+    ln -s ../$dir $dir
+  fi
+done
+
+

scripts/save_current_mos.sh

@@ -0,0 +1,39 @@
+#!/bin/bash
+
+EZFIO=$1
+
+if [[ -z ${EZFIO} ]]
+then
+  echo "Error in $0"
+  exit 1
+fi
+
+if [[ ! -f ${EZFIO}/mo_basis/mo_label ]]
+then
+  LABEL='no_label'
+else
+  LABEL=$(head -1 ${EZFIO}/mo_basis/mo_label)
+fi
+
+DESTINATION="save/mo_basis/${LABEL}"
+
+cd ${EZFIO}
+
+if [[ ! -d save/mo_basis ]]
+then
+        mkdir -p save/mo_basis
+fi
+
+BACKUP=${DESTINATION}.old 
+if [[ -d ${BACKUP} ]]
+then
+        rm -rf ${BACKUP}
+fi
+
+if [[ -d ${DESTINATION} ]]
+then
+        mv ${DESTINATION} ${BACKUP}
+fi
+
+cp -r mo_basis ${DESTINATION}
+