.. highlight:: none [replica] section ------------------------------- Specify the parameters of the replica exchange Monte Carlo part, such as the number of replicas, the temperature range, and the number of Monte Carlo steps. The example is shown as follows. :: [replica] nreplicas = 3 nprocs_per_replica = 1 kTstart = 500.0 kTend = 1500.0 nsteps = 5 RXtrial_frequency = 2 sample_frequency = 1 print_frequency = 1 Input Format ^^^^^^^^^^^^ Specify a keyword and its value in the form ``keyword = value``. Comments can also be entered by adding # (Subsequent characters are ignored). Keywords ^^^^^^^^^^ - About temperatures - ``kTstart`` **Format :** float (>0) **Description :** Minimum temperature for the replica. - ``kTend`` **Format :** float (>0) **Description :** Maximum temperature for the replica. - ``nsteps`` **Format :** int (nature number) **Description :** Number of temperature divisions. - About replica - ``nprocs_per_replica`` **Format :** int (nature number) **Description :** The number of processes for the replica. Default value = 1. - ``nreplicas`` **Format :** int **Description :** The number of replicas. - Others - ``RXtrial_frequency`` **Format :** int (nature number) **Description :** The number of Monte Carlo steps for replica exchange. Default = 1. - ``sample_frequency`` **Format :** int (nature number) **Description :** The number of Monte Carlo steps for observation of physical quantities. Default value = 1. - ``print_frequency`` **Format :** int (nature number) **Description :** The number of Monte Carlo steps for saving physical quantities. Default value = 1.