Minor change in 0_aguaGPU parameter. Didn't fix all the problems.
Problems with 0_aguaGPU apparently fixed. 'ok-files' were obtained with
sm20=1 instead of sm35=1. 1_Oxy-molGPU doesn't work from testing script.
agregado el tan esperado ejemplo de la caffeina
Merge branch 'master' of https://github.com/nanolebrero/lio
SQUASH COMMIT - MODIFICATIONS

(*) PackedStorage.f: transforms vector in packed storage to matrix
    and viceversa. First step towards masking RMM.

(*) get_unit.f: fast way of acquiring an unused unit to write.

(*) mulliken.f: separate the calculation of mulliken population.
    It supposedly works, but I would like to make some extra
    changes for easy calculation of group mulliken pops.
    Also had to change: SCF.f

(*) lio_init.f: the idea is to centralize in this routine all
    global variable initialization and other processes that only
    have to happen in the first call to the library.
    Also had to change: SCF_in.f lio_finalize.f liosolo/main.f

(*) Alternatives option for testing with sm20 instead of sm35
    0_aguaGPU/compile_options20 1_Oxy-molGPU/compile_options20 2_hemoGPU/compile_options20
    3_Fe3H2O6GPU/compile_options20 4_hemoFe3GPU/compile_options20 9_carotenoGPU/compile_options20

(*) int2.f: Changed its name from int22 to int2
    Also had to change: SCFop.f TD.f (probably SCF.f too)

(*) The following had minor changes that should not affect the program.
    dft_get_mm_forces.f dft_get_qm_forces.f
    int1.f int3lu.f mods/garcha_mod.f

FFR
Renombrada la cafeina como corresponde
Minor aesthethical changes in lio_init.
Merge branch 'master' of github.com:nanolebrero/lio into multiboard