Loading doc/src/pair_coul_shield.txt +5 −5 Original line number Diff line number Diff line Loading @@ -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. Loading Loading @@ -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). doc/src/pair_ilp_graphene_hbn.txt +5 −5 Original line number Diff line number Diff line Loading @@ -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. Loading @@ -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. Loading Loading @@ -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). Loading Loading
doc/src/pair_coul_shield.txt +5 −5 Original line number Diff line number Diff line Loading @@ -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. Loading Loading @@ -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).
doc/src/pair_ilp_graphene_hbn.txt +5 −5 Original line number Diff line number Diff line Loading @@ -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. Loading @@ -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. Loading Loading @@ -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). Loading
