diff --git a/doc/src/fix_msst.txt b/doc/src/fix_msst.txt index 025c733897..310692669a 100644 --- a/doc/src/fix_msst.txt +++ b/doc/src/fix_msst.txt @@ -75,7 +75,7 @@ equations, but is used in calculating the deviation from the Hugoniot. The keyword {beta} is a scaling term that can be added to the MSST ionic equations of motion to account for drift in the conserved quantity during long timescale simulations, similar to a Berendson -thermostat. See "(Reed)"_#Reed and "(Goldman)"_#Goldman for more +thermostat. See "(Reed)"_#Reed and "(Goldman)"_#Goldman2 for more details. The value of {beta} must be between 0.0 and 1.0 inclusive. A value of 0.0 means no contribution, a value of 1.0 means a full contribution. @@ -108,7 +108,7 @@ being driven by DFTB+, a density-functional tight-binding code. If the keyword {dftb} is used with a value of {yes}, then the MSST equations are altered to account for the electron entropy contribution to the Hugonio relations and total energy. See "(Reed2)"_#Reed2 and -"(Goldman)"_#Goldman for details on this contribution. In this case, +"(Goldman)"_#Goldman2 for details on this contribution. In this case, you must define a "fix external"_fix_external.html command in your input script, which is used to callback to DFTB+ during the LAMMPS timestepping. DFTB+ will communicate its info to LAMMPS via that fix. @@ -188,6 +188,6 @@ timestep. :link(Reed2) [(Reed2)] Reed, J. Phys. Chem. C, 116, 2205 (2012). -:link(Goldman) +:link(Goldman2) [(Goldman)] Goldman, Srinivasan, Hamel, Fried, Gaus, and Elstner, J. Phys. Chem. C, 117, 7885 (2013). diff --git a/doc/src/fix_qbmsst.txt b/doc/src/fix_qbmsst.txt index 468206a57b..2c116fb0f8 100644 --- a/doc/src/fix_qbmsst.txt +++ b/doc/src/fix_qbmsst.txt @@ -78,7 +78,7 @@ especially when the temperature of the initial state is below the classical limit or there is a great change in the zero point energies between the initial and final states. Theoretical post processing quantum corrections of shock compressed water and methane have been -reported as much as 30% of the temperatures "(Goldman)"_#Goldman. A +reported as much as 30% of the temperatures "(Goldman)"_#Goldman1. A self-consistent method that couples the shock to a quantum thermal bath described by a colored noise Langevin thermostat has been developed by Qi et al "(Qi)"_#Qi and applied to shocked methane. The @@ -212,7 +212,7 @@ T_init=300.0. e0, p0, and v0 are calculated on the first step. :line -:link(Goldman) +:link(Goldman1) [(Goldman)] Goldman, Reed and Fried, J. Chem. Phys. 131, 204103 (2009) :link(Qi)