diff --git a/doc/fix_gcmc.html b/doc/fix_gcmc.html index 646865a6af..a44065316c 100644 --- a/doc/fix_gcmc.html +++ b/doc/fix_gcmc.html @@ -206,6 +206,9 @@ potential energy calculations, including the following:
  • triclinic systems
  • need to include potential energy contributions from other fixes +

    In these cases, LAMMPS will automatically apply the full_energy +keyword and issue a warning message. +

    When the mol keyword is used, the full_energy option also includes the intramolecular energy of inserted and deleted molecules. If this is not desired, the intra_energy keyword can be used to define an @@ -317,7 +320,9 @@ referenced by the user for each subsequent fix gcmc command.

    Default:

    -

    The option defaults are mol = no, maxangle = 10, full_energy = no. +

    The option defaults are mol = no, maxangle = 10, full_energy = no, +except for the situations where full_energy is required, as +listed above.


    diff --git a/doc/fix_gcmc.txt b/doc/fix_gcmc.txt index 5c2ce6031d..68779343aa 100644 --- a/doc/fix_gcmc.txt +++ b/doc/fix_gcmc.txt @@ -191,6 +191,9 @@ potential energy calculations, including the following: triclinic systems need to include potential energy contributions from other fixes :ul +In these cases, LAMMPS will automatically apply the {full_energy} +keyword and issue a warning message. + When the {mol} keyword is used, the {full_energy} option also includes the intramolecular energy of inserted and deleted molecules. If this is not desired, the {intra_energy} keyword can be used to define an @@ -302,7 +305,9 @@ referenced by the user for each subsequent fix gcmc command. [Default:] -The option defaults are mol = no, maxangle = 10, full_energy = no. +The option defaults are mol = no, maxangle = 10, full_energy = no, +except for the situations where full_energy is required, as +listed above. :line