diff --git a/doc/fix.html b/doc/fix.html index 750fe8563c..14786357e3 100644 --- a/doc/fix.html +++ b/doc/fix.html @@ -233,7 +233,7 @@ in the fix section of this page.
  • press/berendsen - pressure control by Berendsen barostat
  • print - print text and variables during a simulation
  • property/atom - add customized per-atom values -
  • qeq/comb - charge equilibration for COMB potential reax/bonds - write out ReaxFF bond information recenter - constrain the center-of-mass position of a group of atoms +
  • qeq/comb - charge equilibration for COMB potential qeq/dynamic - charge equilibration via dynamic method qeq/point - charge equilibration via point method qeq/shielded - charge equilibration via shielded method qeq/slater - charge equilibration via Slater method reax/bonds - write out ReaxFF bond information recenter - constrain the center-of-mass position of a group of atoms
  • restrain - constrain a bond, angle, dihedral
  • rigid - constrain one or more clusters of atoms to move as a rigid body with NVE integration
  • rigid/nph - constrain one or more clusters of atoms to move as a rigid body with NPH integration diff --git a/doc/fix.txt b/doc/fix.txt index 441841b357..0a838eaf95 100644 --- a/doc/fix.txt +++ b/doc/fix.txt @@ -230,7 +230,11 @@ in the fix section of "this page"_Section_commands.html#cmd_5. Berendsen barostat "print"_fix_print.html - print text and variables during a simulation "property/atom"_fix_property_atom.html - add customized per-atom values -"qeq/comb"_fix_qeq/comb.html - charge equilibration for COMB potential \ +"qeq/comb"_fix_qeq_comb.html - charge equilibration for COMB potential \ +"qeq/dynamic"_fix_qeq.html - charge equilibration via dynamic method \ +"qeq/point"_fix_qeq.html - charge equilibration via point method \ +"qeq/shielded"_fix_qeq.html - charge equilibration via shielded method \ +"qeq/slater"_fix_qeq.html - charge equilibration via Slater method \ "reax/bonds"_fix_reax_bonds.html - write out ReaxFF bond information \ "recenter"_fix_recenter.html - constrain the center-of-mass position \ of a group of atoms diff --git a/doc/fix_qeq.html b/doc/fix_qeq.html index 858caa2921..e4abfa5316 100644 --- a/doc/fix_qeq.html +++ b/doc/fix_qeq.html @@ -185,7 +185,7 @@ LAMMPS section for more info.

    (Rappe and Goddard) A. K. Rappe and W. A. Goddard III, J Physical -Chemistry, 105, 3358-3363 (1991). +Chemistry, 95, 3358-3363 (1991).

    diff --git a/doc/fix_qeq.txt b/doc/fix_qeq.txt index 745d319639..276b27f5cb 100644 --- a/doc/fix_qeq.txt +++ b/doc/fix_qeq.txt @@ -178,7 +178,7 @@ LAMMPS"_Section_start.html#start_3 section for more info. :link(Rappe) [(Rappe and Goddard)] A. K. Rappe and W. A. Goddard III, J Physical -Chemistry, 105, 3358-3363 (1991). +Chemistry, 95, 3358-3363 (1991). :link(Nakano) [(Nakano)] A. Nakano, Computer Physics Communications, 104, 59-69 (1997). diff --git a/doc/fix_qeq_reax.html b/doc/fix_qeq_reax.html index 8524f5a69a..79f8340d5c 100644 --- a/doc/fix_qeq_reax.html +++ b/doc/fix_qeq_reax.html @@ -91,7 +91,7 @@ be used for periodic cell dimensions less than 10 angstroms. -

    (Rappe) Rappe and Goddard III, Journal of Physical Chemistry, 105, +

    (Rappe) Rappe and Goddard III, Journal of Physical Chemistry, 95, 3358-3363 (1991).

    diff --git a/doc/fix_qeq_reax.txt b/doc/fix_qeq_reax.txt index 3a899e1e3a..d6d0f0cfeb 100644 --- a/doc/fix_qeq_reax.txt +++ b/doc/fix_qeq_reax.txt @@ -87,7 +87,7 @@ be used for periodic cell dimensions less than 10 angstroms. :line :link(Rappe) -[(Rappe)] Rappe and Goddard III, Journal of Physical Chemistry, 105, + [(Rappe)] Rappe and Goddard III, Journal of Physical Chemistry, 95, 3358-3363 (1991). :link(Nakano)