diff --git a/doc/src/fix_pimd.rst b/doc/src/fix_pimd.rst index 342530e6a9..4d08497928 100644 --- a/doc/src/fix_pimd.rst +++ b/doc/src/fix_pimd.rst @@ -17,16 +17,29 @@ Syntax * ID, group-ID are documented in :doc:`fix ` command * style = *pimd/langevin* or *pimd/nvt* = style name of this fix command * zero or more keyword/value pairs may be appended -* keyword = *method* or *fmass* or *sp* or *temp* or *nhc* +* keywords for style *pimd/nvt* .. parsed-literal:: - + *keywords* = *method* or *fmass* or *sp* or *temp* or *nhc* *method* value = *pimd* or *nmpimd* or *cmd* *fmass* value = scaling factor on mass *sp* value = scaling factor on Planck constant *temp* value = temperature (temperarate units) *nhc* value = Nc = number of chains in Nose-Hoover thermostat +* keywords for style *pimd/langevin* + + .. parsed-literal:: + *keywords* = *method* or *integrator* or *ensemble* or *fmass* or *fmmode* or *scale* or *lj* or *temp* or *thermostat* or *tau* or *press* or *barostat* or *taup* or *iso* or *aniso* + *method* value = *nmpimd* + *fmass* value = scaling factor on mass + *sp* value = scaling factor on Planck constant + *temp* value = target temperature (temperarate units) + *thermostat* values = PILE_L *seed* + *seed* = random number seed + *tau* value = thermostat damping parameter (time unit) + *press* value = target pressure (pressure units) + Examples """"""""