These fixes can ramp their external temperature and pressure over multiple runs, using the start and stop keywords of the diff --git a/doc/fix_nh.txt b/doc/fix_nh.txt index 8981637080..0f766fb9d2 100644 --- a/doc/fix_nh.txt +++ b/doc/fix_nh.txt @@ -440,19 +440,19 @@ The order of values in the global vector and their meaning is as follows. The notation means there are tchain values for eta, followed by tchain for eta_dot, followed by ndof for omega, etc: -eta\[tchain\] = particle thermostat displacements -eta_dot\[tchain\] = particle thermostat velocities -omega\[ndof\] = barostat displacements -omega_dot\[ndof\] = barostat velocities -etap\[pchain\] = barostat thermostat displacements -etap_dot\[pchain\] = barostat thermostat velocities -PE_eta\[tchain\] = potential energy of each particle thermostat displacement -KE_eta_dot\[tchain\] = kinetic energy of each particle thermostat velocity -PE_omega\[ndof\] = potential energy of each barostat displacement -KE_omega_dot\[ndof\] = kinetic energy of each barostat velocity -PE_etap\[pchain\] = potential energy of each barostat thermostat displacement -KE_etap_dot\[pchain\] = kinetic energy of each barostat thermostat velocity -PE_strain\[1\] = scalar strain energy :ul +eta\[tchain\] = particle thermostat displacements (unitless) +eta_dot\[tchain\] = particle thermostat velocities (1/time units) +omega\[ndof\] = barostat displacements (unitless) +omega_dot\[ndof\] = barostat velocities (1/time units) +etap\[pchain\] = barostat thermostat displacements (unitless) +etap_dot\[pchain\] = barostat thermostat velocities (1/time units) +PE_eta\[tchain\] = potential energy of each particle thermostat displacement (energy units) +KE_eta_dot\[tchain\] = kinetic energy of each particle thermostat velocity (energy units) +PE_omega\[ndof\] = potential energy of each barostat displacement (energy units) +KE_omega_dot\[ndof\] = kinetic energy of each barostat velocity (energy units) +PE_etap\[pchain\] = potential energy of each barostat thermostat displacement (energy units) +KE_etap_dot\[pchain\] = kinetic energy of each barostat thermostat velocity (energy units) +PE_strain\[1\] = scalar strain energy (energy units) :ul These fixes can ramp their external temperature and pressure over multiple runs, using the {start} and {stop} keywords of the