v1.7.0

New This Version:

• New Config Options:
  • Write Configurational Heat Capacities (true/false): Enabling this option adds an additional file to the output, 'configurational_heat_capacities.txt'. For each distinct temperature, the file will contain a line with the temperature, the average energy at that temperature, and the configurational heat capacity at that temperature (C = (<V²> - < V >²) / (k_BT²)).
  • Number of Equilibration Configurations: When Static Temperature and Write Configurational Heat Capacities are both enabled, the first N energies will not be considered in the configurational heat capacity, where N is the value set for Number of Equilibration Configurations.

Bugfixes/Changes:

• When Static Temperature is enabled, Points per Tooth is now always considered as set to 1. (Previously, only Number of Teeth was set like this for static temperatures.)