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small modifications for potential #839

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oywg11 2018-09-12 21:51:57 +03:00
parent 83b6d6ae96
commit 01beaf38a1
2 changed files with 10 additions and 10 deletions
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10
doc/src/pair_coul_shield.txt
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@ -38,7 +38,7 @@ charge and molecule ID information is included.
Where Tap(r_ij) is the taper function which provides a continuous cutoff
(up to third derivative) for inter-atomic separations larger than r_c
"(Leven1)"_#Leven2, "(Leven2)"_#Leven3 and "(Maaravi)"_#Maaravi1. Here {lambda} is the shielding parameter that
"(Leven1)"_#Leven3, "(Leven2)"_#Leven4 and "(Maaravi)"_#Maaravi1. Here {lambda} is the shielding parameter that
eliminates the short-range singularity of the classical mono-polar
electrostatic interaction expression "(Maaravi)"_#Maaravi1.
@ -82,11 +82,11 @@ LAMMPS"_Section_start.html#start_2_3 section for more info.
:line
:link(Leven2)
[(Leven)] I. Leven, I. Azuri, L. Kronik and O. Hod, J. Chem. Phys. 140, 104106 (2014).
:link(Leven3)
[(Leven)] I. Leven et al, J. Chem.Theory Comput. 12, 2896-905 (2016).
[(Leven1)] I. Leven, I. Azuri, L. Kronik and O. Hod, J. Chem. Phys. 140, 104106 (2014).
:link(Leven4)
[(Leven2)] I. Leven et al, J. Chem.Theory Comput. 12, 2896-905 (2016).
:link(Maaravi1)
[(Maaravi)] T. Maaravi et al, J. Phys. Chem. C 121, 22826-22835 (2017).

10
doc/src/pair_ilp_graphene_hbn.txt
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@ -31,7 +31,7 @@ pair_coeff 2 2 coul/shield 0.69 :pre
[Description:]
The {ilp/graphene/hbn} style computes the registry-dependent interlayer
potential (ILP) potential as described in "(Leven1)"_#Leven1, "(Leven2)"_#Leven and
potential (ILP) potential as described in "(Leven1)"_#Leven1, "(Leven2)"_#Leven2 and
"(Maaravi)"_#Maaravi2. The normals are calculated in the way as described
in "(Kolmogorov)"_#Kolmogorov2.
@ -40,7 +40,7 @@ in "(Kolmogorov)"_#Kolmogorov2.
Where Tap(r_ij) is the taper function which provides a continuous
cutoff (up to third derivative) for interatomic separations larger than
r_c "(Maaravi)"_#Maaravi2. The definitons of each parameter in the above
equation can be found in "(Leven)"_#Leven1 and "(Maaravi)"_#Maaravi2.
equation can be found in "(Leven1)"_#Leven1 and "(Maaravi)"_#Maaravi2.
It is important to include all the pairs to build the neighbor list for
calculating the normals.
@ -112,10 +112,10 @@ units, if your simulation does not use {metal} units.
:line
:link(Leven1)
[(Leven)] I. Leven, I. Azuri, L. Kronik and O. Hod, J. Chem. Phys. 140, 104106 (2014).
[(Leven1)] I. Leven, I. Azuri, L. Kronik and O. Hod, J. Chem. Phys. 140, 104106 (2014).
:link(Leven)
[(Leven)] I. Leven et al, J. Chem.Theory Comput. 12, 2896-905 (2016).
:link(Leven2)
[(Leven2)] I. Leven et al, J. Chem.Theory Comput. 12, 2896-905 (2016).
:link(Maaravi2)
[(Maaravi)] T. Maaravi et al, J. Phys. Chem. C 121, 22826-22835 (2017).