!+ MMTSB Replica Exchange ! public members integer mmtsb_switch ! Replica Exchange Control: integer mmtsb_off ! No Replica Exchange parameter ( mmtsb_off = 0 ) integer mmtsb_temp_rex ! Temperature Replica Exchange parameter ( mmtsb_temp_rex = 1 ) integer mmtsb_lambda_rex ! Lambda Replica Exchange parameter ( mmtsb_lambda_rex = 2 ) integer mmtsb_iterations ! Replica Exchange Frequency in Iterations logical mmtsb_is_exchanged ! replica exchange occurred this step common /mmtsb_public/ mmtsb_switch, mmtsb_iterations, mmtsb_is_exchanged ! These may cause compilation errors in the subroutines themselves. !external Mmtsb_init !external Mmtsb_newtemp !external Mmtsb_print_banner #ifdef MMTSB ! private members; these may move to file mmtsb.inc character(len=80) datadir ! local directory for intermediate coordinates character(len=80) jobid ! id of this client integer sendfiles ! the value 1 requests file send character(len=80) servername character(len=80) serverport character(len=80) serverid common /mmtsb_private_server/ servername, serverport, serverid, & jobid, datadir, sendfiles #endif