forked from lijiext/lammps
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1444 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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@ -3587,6 +3587,11 @@ read_restart, or create_box command.
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</H4>
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<DL>
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<DT><I>Dihedral problem: %d %d %d %d %d %d</I>
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<DD>Conformation of the 4 listed dihedral atoms is extreme; you may want
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to check your simulation geometry.
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<DT><I>Dump dcd/xtc timestamp may be wrong with fix dt/reset</I>
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<DD>If the fix changes the timestep, the dump dcd file will not
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@ -3619,6 +3624,11 @@ the other fixes have made their adjustments.
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computes a temperature on a different group of atoms than the fix
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itself operates on. This is probably not what you want to do.
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<DT><I>Improper problem: %d %d %d %d %d %d</I>
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<DD>Conformation of the 4 listed improper atoms is extreme; you may want
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to check your simulation geometry.
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<DT><I>Less insertions than requested</I>
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<DD>Less atom insertions occurred on this timestep due to the fix insert
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@ -3584,6 +3584,11 @@ Warnings: :h4,link(warn)
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:dlb
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{Dihedral problem: %d %d %d %d %d %d} :dt
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Conformation of the 4 listed dihedral atoms is extreme; you may want
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to check your simulation geometry. :dd
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{Dump dcd/xtc timestamp may be wrong with fix dt/reset} :dt
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If the fix changes the timestep, the dump dcd file will not
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@ -3616,6 +3621,11 @@ The fix_modify command is specifying a temperature computation that
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computes a temperature on a different group of atoms than the fix
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itself operates on. This is probably not what you want to do. :dd
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{Improper problem: %d %d %d %d %d %d} :dt
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Conformation of the 4 listed improper atoms is extreme; you may want
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to check your simulation geometry. :dd
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{Less insertions than requested} :dt
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Less atom insertions occurred on this timestep due to the fix insert
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@ -37,11 +37,11 @@ the input script or data file. These are the 4 coefficients:
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</P>
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<UL><LI>theta0 (degrees)
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<LI>K2 (energy/radian^2)
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<LI>K3 (energy/radian^2)
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<LI>K4 (energy/radian^2)
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<LI>K3 (energy/radian^3)
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<LI>K4 (energy/radian^4)
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</UL>
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<P>Theta0 is specified in degrees, but LAMMPS converts it to radians
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internally; hence the units of K are in energy/radian^2.
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internally; hence the units of the various K are in per-radian.
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</P>
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<P>Coefficients for the Ebb and Eba formulas can only be specified in the
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data file.
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@ -34,11 +34,11 @@ the input script or data file. These are the 4 coefficients:
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theta0 (degrees)
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K2 (energy/radian^2)
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K3 (energy/radian^2)
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K4 (energy/radian^2) :ul
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K3 (energy/radian^3)
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K4 (energy/radian^4) :ul
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Theta0 is specified in degrees, but LAMMPS converts it to radians
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internally; hence the units of K are in energy/radian^2.
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internally; hence the units of the various K are in per-radian.
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Coefficients for the Ebb and Eba formulas can only be specified in the
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data file.
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