1!dalton_copyright_start 2! 3! 4!dalton_copyright_end 5 6module vector_xc_file_type 7 8 implicit none 9 10 public exchange_files 11 12! type definition 13 type exchange_files 14 15 integer :: & 16 present_sym_irrep, & ! current active symmetry irrep in use 17 present_vector_type, & ! current active vector_type 18 present_fh_lu, & ! file handle for LUCITA file 19 present_fh_par, & ! MPI file handle for LUCITA file 20 present_fh_mc, & ! file handle for MCSCF file 21 push_pull_switch, & ! push or pull data to/from lucita i/o files (1 or 2) 22 total_nr_vectors, & ! total # of vectors of a given type 23 my_process_id ! process ID 24 25 logical :: & 26 exchange_file_init = .false., & ! status of exchange_files_info 27 exchange_file_io2io = .false., & ! file exchange using i/o 2 i/o [.false. ==> i/o 2 core-mem (ex-type 1) / core-mem 2 i/o (ex-type 2)] 28 exchange_file_open(2) ! leave status 'open' of file(s) after i/o operations 29 30 character(len= 1) :: & 31 exchange_files_f_extension(8) ! extension for generic exchange file names (LUCITA_CVECS.x, LUCITA_HCVEC.x, etc) 8 <--> D2h symmetry 32 character(len=14) :: & ! generic exchange file names 33 exchange_files_generic(8) 34 35 end type exchange_files 36 37! exchange_files object 38 type(exchange_files), public, save :: exchange_f_info 39 40end module 41