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minor tweaks

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This commit is contained in:
Axel Kohlmeyer
2022-12-22 15:49:11 -05:00
parent 07fe2fa29d
commit a7a5a83308
2 changed files with 2 additions and 3 deletions
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2
doc/src/pair_morse.rst
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@ -107,7 +107,7 @@ I,J pairs must be specified explicitly.
All of these pair styles support the :doc:`pair_modify <pair_modify>`
shift option for the energy of the pair interaction.
The :doc:`pair_modify <pair_modify>` table options is not relevant for
The :doc:`pair_modify <pair_modify>` table options are not relevant for
the Morse pair styles.
None of these pair styles support the :doc:`pair_modify <pair_modify>`

3
src/pair_morse.cpp
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@ -114,8 +114,7 @@ void PairMorse::compute(int eflag, int vflag)
}
if (eflag) {
evdwl = d0[itype][jtype] * (dexp*dexp - 2.0*dexp) -
offset[itype][jtype];
evdwl = d0[itype][jtype] * (dexp*dexp - 2.0*dexp) - offset[itype][jtype];
evdwl *= factor_lj;
}