Commit b771225f authored by charlie sievers's avatar charlie sievers
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Edit gjf option syntax within fix_langevin.txt

parent cf13284b
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+3 −2
Original line number Diff line number Diff line
@@ -24,9 +24,10 @@ keyword = {angmom} or {omega} or {scale} or {tally} or {zero} :l
  {angmom} value = {no} or factor
    {no} = do not thermostat rotational degrees of freedom via the angular momentum
    factor = do thermostat rotational degrees of freedom via the angular momentum and apply numeric scale factor as discussed below
  {gjf} value = {no} or {yes}
  {gjf} value = {no} or {vfull} or {vhalf}
    {no} = use standard formulation
    {yes} = use Gronbech-Jensen/Farago formulation
    {vfull} = use Gronbech-Jensen/Farago formulation
    {vhalf} = use 2GJ formulation
  {omega} value = {no} or {yes}
    {no} = do not thermostat rotational degrees of freedom via the angular velocity
    {yes} = do thermostat rotational degrees of freedom via the angular velocity