Unverified Commit 8ff61225 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
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correct documentation of improper style fourier

parent 7f037b6c
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+8 −8
Original line number Diff line number Diff line
@@ -16,7 +16,7 @@ improper_style fourier :pre
[Examples:]

improper_style fourier
improper_coeff 1 100.0 180.0 :pre
improper_coeff 1 100.0 0.0 1.0 0.5 1 :pre

[Description:]

@@ -24,12 +24,12 @@ The {fourier} improper style uses the following potential:

:c,image(Eqs/improper_fourier.jpg)

where K is the force constant and omega is the angle between the IL
axis and the IJK plane:
where K is the force constant, C0, C1, C2 are dimensionless coefficients,
and omega is the angle between the IL axis and the IJK plane:

:c,image(JPG/umbrella.jpg)

If all parameter (see bellow) is not zero, the all the three possible angles will taken in account.
If all parameter (see below) is not zero, the all the three possible angles will taken in account.

The following coefficients must be defined for each improper type via
the "improper_coeff"_improper_coeff.html command as in the example
@@ -38,10 +38,10 @@ above, or in the data file or restart files read by the
commands:

K (energy)
C0 (real)
C1 (real)
C2 (real)
all  (integer >= 0) :ul
C0 (unitless)
C1 (unitless)
C2 (unitless)
all  (0 or 1, optional) :ul

:line