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use k_B consistently, fix some more math. convert some transcriptions to math

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Axel Kohlmeyer
2020-02-29 11:37:31 -05:00
parent 07fc624509
commit 6f47f110f1
11 changed files with 274 additions and 258 deletions
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17
doc/src/compute_ke.rst
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@ -28,8 +28,8 @@ Description
Define a computation that calculates the translational kinetic energy
of a group of particles.
The kinetic energy of each particle is computed as 1/2 m v\^2, where m
and v are the mass and velocity of the particle.
The kinetic energy of each particle is computed as :math:`\frac{1}{2} m
v^2`, where *m* and *v* are the mass and velocity of the particle.
There is a subtle difference between the quantity calculated by this
compute and the kinetic energy calculated by the *ke* or *etotal*
@ -37,12 +37,13 @@ keyword used in thermodynamic output, as specified by the
:doc:`thermo_style <thermo_style>` command. For this compute, kinetic
energy is "translational" kinetic energy, calculated by the simple
formula above. For thermodynamic output, the *ke* keyword infers
kinetic energy from the temperature of the system with 1/2 Kb T of
energy for each degree of freedom. For the default temperature
computation via the :doc:`compute temp <compute_temp>` command, these
are the same. But different computes that calculate temperature can
subtract out different non-thermal components of velocity and/or
include different degrees of freedom (translational, rotational, etc).
kinetic energy from the temperature of the system with
:math:`\frac{1}{2} k_B T` of energy for each degree of freedom. For the
default temperature computation via the :doc:`compute temp
<compute_temp>` command, these are the same. But different computes
that calculate temperature can subtract out different non-thermal
components of velocity and/or include different degrees of freedom
(translational, rotational, etc).
**Output info:**