Skip to content

Commit 2448970

Browse files
committed
fix docs
1 parent 03c26e8 commit 2448970

File tree

1 file changed

+26
-12
lines changed

1 file changed

+26
-12
lines changed

statmechcrack/monte_carlo.py

+26-12
Original file line numberDiff line numberDiff line change
@@ -351,9 +351,13 @@ def beta_A_isometric_monte_carlo(self, v, **kwargs):
351351
\beta\Delta A(v) =
352352
-\ln\left\langle e^{-\beta\Delta A_0} \right\rangle_\star,
353353
354-
where :math:`\Delta A_0\equiv
355-
A_0(v,\boldsymbol{\lambda})-A_0(1,\boldsymbol{\lambda})`
356-
and
354+
where the relative free energy of the reference system is
355+
356+
.. math::
357+
\Delta A_0\equiv
358+
A_0(v,\boldsymbol{\lambda})-A_0(1,\boldsymbol{\lambda}),
359+
360+
and where the isometric ensemble average here is
357361
358362
.. math::
359363
\left\langle \phi \right\rangle_\star \equiv
@@ -365,8 +369,11 @@ def beta_A_isometric_monte_carlo(self, v, **kwargs):
365369
}
366370
,
367371
368-
where :math:`A_\star(\boldsymbol{\lambda})\equiv
369-
A_0(1,\lambda}) + U_1(\boldsymbol{\lambda})`.
372+
where the free energy measure here is
373+
374+
.. math::
375+
A_\star(\boldsymbol{\lambda})\equiv
376+
A_0(1,\lambda}) + U_1(\boldsymbol{\lambda}).
370377
371378
Args:
372379
v (array_like): The nondimensional end separation.
@@ -435,9 +442,13 @@ def beta_G_isotensional_monte_carlo(self, p, **kwargs):
435442
\beta\Delta G(v) =
436443
-\ln\left\langle e^{-\beta\Delta G_0} \right\rangle_\star,
437444
438-
where :math:`\Delta G_0\equiv
439-
G_0(p,\boldsymbol{\lambda})-G_0(0,\boldsymbol{\lambda})`
440-
and
445+
where the relative free energy of the reference system is
446+
447+
.. math::
448+
\Delta G_0\equiv
449+
G_0(p,\boldsymbol{\lambda})-G_0(0,\boldsymbol{\lambda}),
450+
451+
and where the isotensional ensemble average here is
441452
442453
.. math::
443454
\left\langle \phi \right\rangle_\star \equiv
@@ -449,8 +460,11 @@ def beta_G_isotensional_monte_carlo(self, p, **kwargs):
449460
}
450461
,
451462
452-
where :math:`G_\star(\boldsymbol{\lambda})\equiv
453-
G_0(0,\lambda}) + U_1(\boldsymbol{\lambda})`.
463+
where the free energy measure here is
464+
465+
.. math::
466+
G_\star(\boldsymbol{\lambda})\equiv
467+
G_0(0,\lambda}) + U_1(\boldsymbol{\lambda}).
454468
455469
Args:
456470
p (array_like): The nondimensional end force.
@@ -520,7 +534,7 @@ def k_isometric_monte_carlo(self, v, **kwargs):
520534
of the ensemble average
521535
522536
.. math::
523-
k \propto
537+
\frac{k(v)}{k(1)} =
524538
\frac{\left\langle
525539
e^{-\beta\Delta A_0^\ddagger}
526540
\right\rangle_\star^\ddagger}{\left\langle
@@ -615,7 +629,7 @@ def k_isotensional_monte_carlo(self, p, **kwargs):
615629
of the ensemble average
616630
617631
.. math::
618-
k \propto
632+
\frac{k(p)}{k(0)} =
619633
\frac{\left\langle
620634
e^{-\beta\Delta G_0^\ddagger}
621635
\right\rangle_\star^\ddagger}{\left\langle

0 commit comments

Comments
 (0)