Loading doc/src/fix_gcmc.rst +2 −2 Original line number Diff line number Diff line Loading @@ -68,7 +68,7 @@ Description This fix performs grand canonical Monte Carlo (GCMC) exchanges of atoms or molecules with an imaginary ideal gas reservoir at the specified T and chemical potential (mu) as discussed in :ref:`(Frenkel) <Frenkel>`. It also in :ref:`(Frenkel) <Frenkel2>`. It also attempts Monte Carlo (MC) moves (translations and molecule rotations) within the simulation cell or region. If used with the :doc:`fix nvt <fix_nh>` Loading Loading @@ -481,7 +481,7 @@ listed above. ---------- .. _Frenkel: .. _Frenkel2: **(Frenkel)** Frenkel and Smit, Understanding Molecular Simulation, Academic Press, London, 2002. doc/src/fix_widom.rst +2 −2 Original line number Diff line number Diff line Loading @@ -42,7 +42,7 @@ Description """"""""""" This fix performs Widom insertions of atoms or molecules at the given temperature as discussed in :ref:`(Frenkel) <Frenkel>`. Specific uses temperature as discussed in :ref:`(Frenkel) <Frenkel1>`. Specific uses include computation of Henry constants of small molecules in microporous materials or amorphous systems. Loading Loading @@ -221,7 +221,7 @@ above. ---------- .. _Frenkel: .. _Frenkel1: **(Frenkel)** Frenkel and Smit, Understanding Molecular Simulation, Academic Press, London, 2002. Loading
doc/src/fix_gcmc.rst +2 −2 Original line number Diff line number Diff line Loading @@ -68,7 +68,7 @@ Description This fix performs grand canonical Monte Carlo (GCMC) exchanges of atoms or molecules with an imaginary ideal gas reservoir at the specified T and chemical potential (mu) as discussed in :ref:`(Frenkel) <Frenkel>`. It also in :ref:`(Frenkel) <Frenkel2>`. It also attempts Monte Carlo (MC) moves (translations and molecule rotations) within the simulation cell or region. If used with the :doc:`fix nvt <fix_nh>` Loading Loading @@ -481,7 +481,7 @@ listed above. ---------- .. _Frenkel: .. _Frenkel2: **(Frenkel)** Frenkel and Smit, Understanding Molecular Simulation, Academic Press, London, 2002.
doc/src/fix_widom.rst +2 −2 Original line number Diff line number Diff line Loading @@ -42,7 +42,7 @@ Description """"""""""" This fix performs Widom insertions of atoms or molecules at the given temperature as discussed in :ref:`(Frenkel) <Frenkel>`. Specific uses temperature as discussed in :ref:`(Frenkel) <Frenkel1>`. Specific uses include computation of Henry constants of small molecules in microporous materials or amorphous systems. Loading Loading @@ -221,7 +221,7 @@ above. ---------- .. _Frenkel: .. _Frenkel1: **(Frenkel)** Frenkel and Smit, Understanding Molecular Simulation, Academic Press, London, 2002.
