added workspace

workspace/Initialisation/Code/FIND.pl

workspace/Initialisation/Code/PRINT.pl

workspace/Initialisation/Code/READ.pl

workspace/Initialisation/Code/SORT.pl

workspace/Initialisation/Code/SPLIT.pl

workspace/Initialisation/Code/WRITE.pl

workspace/Initialisation/Code/handle_MATfile.m

workspace/Initialisation/Code/setting.in

workspace/Initialisation/Code/setting_group.in

workspace/Initialisation/Code/splitGroup.pl

workspace/Initialisation/Code/utilities/u_add_number.pl

workspace/Initialisation/Code/utilities/u_findSame.pl

workspace/Initialisation/Code/utilities/u_mol2frag.pl

workspace/Initialisation/Input/.screen.sdf.swp

workspace/Initialisation/Input/23706.txt

workspace/Initialisation/Input/test.mat

workspace/Initialisation/Input/test.sdf

workspace/Initialisation/Input/test.txt

workspace/Initialisation/Manual/example_err/diff_USMILES

workspace/Initialisation/Manual/structure.pdf