diff --git a/doc/Section_howto.html b/doc/Section_howto.html index e803cf5..f8c3826 100644 --- a/doc/Section_howto.html +++ b/doc/Section_howto.html @@ -2430,7 +2430,7 @@
Example calculations with chunks CORESHELL package,
  • the thermalized Drude dipole method, implemented in the -USER-DRUDE package. +USER-DRUDE package.

    The fluctuating charge method calculates instantateous charges on interacting atoms based on the electronegativity equalization @@ -2466,7 +2466,7 @@

    Example calculations with chunks timestep. In the fluctuating charge scheme this is done by the matrix inversion method in fix qeq/point, but for core-shell or Drude-dipoles the relaxed-dipoles technique would require an slow -iterative procedure. These self-consistent solutions yield accurae +iterative procedure. These self-consistent solutions yield accurate trajectories since the additional degrees of freedom representing polarization are massless. An alternative is to attribute a mass to the additional degrees of freedom and perform time integration using diff --git a/doc/Section_howto.txt b/doc/Section_howto.txt index 5499b2b..7180811 100644 --- a/doc/Section_howto.txt +++ b/doc/Section_howto.txt @@ -2413,7 +2413,7 @@ package, :ulb,l the adiabatic core-shell method, implemented in the "CORESHELL"_#howto_26 package, :l the thermalized Drude dipole method, implemented in the -"USER-DRUDE"_#howto_26 package. :l,ule +"USER-DRUDE"_#howto_27 package. :l,ule The fluctuating charge method calculates instantateous charges on interacting atoms based on the electronegativity equalization @@ -2449,7 +2449,7 @@ self-consistent calculation of charges or induced dipoles at each timestep. In the fluctuating charge scheme this is done by the matrix inversion method in "fix qeq/point"_fix_qeq.html, but for core-shell or Drude-dipoles the relaxed-dipoles technique would require an slow -iterative procedure. These self-consistent solutions yield accurae +iterative procedure. These self-consistent solutions yield accurate trajectories since the additional degrees of freedom representing polarization are massless. An alternative is to attribute a mass to the additional degrees of freedom and perform time integration using