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extended_system_mapping.F File Reference

Go to the source code of this file.

Modules

module  extended_system_mapping
 

Functions/Subroutines

subroutine, public extended_system_mapping::nhc_to_barostat_mapping (simpar, nhc)
 Creates the thermostatting for the barostat.
 
subroutine, public extended_system_mapping::nhc_to_particle_mapping (thermostat_info, simpar, local_molecules, molecule_set, molecule_kind_set, nhc, para_env, gci)
 Creates the thermostatting maps.
 
subroutine, public extended_system_mapping::nhc_to_particle_mapping_slow (thermostat_info, simpar, local_molecules, molecule_set, molecule_kind_set, nhc, para_env, gci)
 Creates the thermostatting maps.
 
subroutine, public extended_system_mapping::nhc_to_particle_mapping_fast (thermostat_info, simpar, local_molecules, molecule_set, molecule_kind_set, nhc, para_env, gci)
 Creates the thermostatting maps.
 
subroutine, public extended_system_mapping::nhc_to_shell_mapping (thermostat_info, simpar, local_molecules, molecule_set, molecule_kind_set, nhc, para_env, gci)
 ...