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Changed mathjax for multiline formula
This commit is contained in:
david-castillo
2020-03-23 17:57:58 +01:00
parent 0f00bb1ca6
commit 6209479797
2 changed files with 14 additions and 11 deletions
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9
doc/src/fix_restrain.rst
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@ -150,16 +150,19 @@ is included in :math:`K`.
----------
The *lbond* keyword applies a lowerbound bond restraint to the specified atoms
The *lbond* keyword applies a lower bound bond restraint to the specified atoms
using the same functional form used by the :doc:`bond_style harmonic <bond_harmonic>` command if the distance between
the atoms is smaller than the equilibrium bond distance and 0 otherwise. The potential associated with
the restraint is
.. math::
E = K (r - r_0)^2 if r < r_0
E = 0 if r >= r_0
E = K (r - r_0)^2 ,if\;r < r_0
.. math::
E = 0 \qquad\quad\quad ,if\;r \ge r_0
with the following coefficients:
* :math:`K` (energy/distance\^2)

16
src/fix_restrain.cpp
View File

@ -87,11 +87,11 @@ FixRestrain::FixRestrain(LAMMPS *lmp, int narg, char **arg) :
kstop[nrestrain] = force->numeric(FLERR,arg[iarg+4]);
deqstart[nrestrain] = force->numeric(FLERR,arg[iarg+5]);
if (iarg+6 == narg) {
deqstop[nrestrain] = force->numeric(FLERR,arg[iarg+5]);
iarg += 6;
deqstop[nrestrain] = force->numeric(FLERR,arg[iarg+5]);
iarg += 6;
} else {
deqstop[nrestrain] = force->numeric(FLERR,arg[iarg+6]);
iarg += 7;
deqstop[nrestrain] = force->numeric(FLERR,arg[iarg+6]);
iarg += 7;
}
} else if (strcmp(arg[iarg],"lbound") == 0) {
if (iarg+6 > narg) error->all(FLERR,"Illegal fix restrain command");
@ -102,11 +102,11 @@ FixRestrain::FixRestrain(LAMMPS *lmp, int narg, char **arg) :
kstop[nrestrain] = force->numeric(FLERR,arg[iarg+4]);
deqstart[nrestrain] = force->numeric(FLERR,arg[iarg+5]);
if (iarg+6 == narg) {
deqstop[nrestrain] = force->numeric(FLERR,arg[iarg+5]);
iarg += 6;
deqstop[nrestrain] = force->numeric(FLERR,arg[iarg+5]);
iarg += 6;
} else {
deqstop[nrestrain] = force->numeric(FLERR,arg[iarg+6]);
iarg += 7;
deqstop[nrestrain] = force->numeric(FLERR,arg[iarg+6]);
iarg += 7;
}
} else if (strcmp(arg[iarg],"angle") == 0) {
if (iarg+7 > narg) error->all(FLERR,"Illegal fix restrain command");