Loading doc/txt/pair_ilp_graphene_hbn.txt +9 −9 Original line number Diff line number Diff line Loading @@ -72,15 +72,15 @@ a screened Coulomb interaction "coul/shield"_pair_coul_shield.html. Therefore, to simulated the properties of h-BN correctly, this potential must be used in combination with the pair style "coul/shield"_pair_coul_shield.html. NOTE: Four new sets of parameters of ILP for 2D layered Materials with bilayer and bulk configurations are presented in "(Ouyang1)"_#Ouyang1 and "(Ouyang2)"_#Ouyang2, respectively. These parameters provide a good description in both short- and long-range interaction regimes. While the old ILP parameters published in "(Leven2)"_#Leven2 and "(Maaravi)"_#Maaravi2 are only suitable for long-range interaction regime. This feature is essential for simulations in high pressure regime (i.e., the interlayer distance is smaller than the equilibrium distance). The benchmark tests and comparison of these parameters can be found in "(Ouyang1)"_#Ouyang1 and "(Ouyang2)"_#Ouyang2. NOTE: Four new sets of parameters of ILP for 2D layered Materials with bilayer and bulk configurations are presented in "(Ouyang1)"_#Ouyang1 and "(Ouyang2)"_#Ouyang2, respectively. These parameters provide a good description in both short- and long-range interaction regimes. While the old ILP parameters published in "(Leven2)"_#Leven2 and "(Maaravi)"_#Maaravi2 are only suitable for long-range interaction regime. This feature is essential for simulations in high pressure regime (i.e., the interlayer distance is smaller than the equilibrium distance). The benchmark tests and comparison of these paramete can be found in "(Ouyang1)"_#Ouyang1 and "(Ouyang2)"_#Ouyang2. This potential must be used in combination with hybrid/overlay. Other interactions can be set to zero using pair_style {none}. Loading doc/txt/pair_kolmogorov_crespi_full.txt +2 −1 Original line number Diff line number Diff line Loading @@ -69,7 +69,8 @@ parameters (CC.KC) published in "(Kolmogorov)"_#Kolmogorov1 are only suitable for long-range interaction regime. This feature is essential for simulations in high pressure regime (i.e., the interlayer distance is smaller than the equilibrium distance). The benchmark tests and comparison of these parameters can be found in "(Ouyang1)"_#Ouyang3" and (Ouyang2)"_#Ouyang4. comparison of these parameters can be found in "(Ouyang1)"_#Ouyang3" and (Ouyang2)"_#Ouyang4. This potential must be used in combination with hybrid/overlay. Other interactions can be set to zero using pair_style {none}. Loading Loading
doc/txt/pair_ilp_graphene_hbn.txt +9 −9 Original line number Diff line number Diff line Loading @@ -72,15 +72,15 @@ a screened Coulomb interaction "coul/shield"_pair_coul_shield.html. Therefore, to simulated the properties of h-BN correctly, this potential must be used in combination with the pair style "coul/shield"_pair_coul_shield.html. NOTE: Four new sets of parameters of ILP for 2D layered Materials with bilayer and bulk configurations are presented in "(Ouyang1)"_#Ouyang1 and "(Ouyang2)"_#Ouyang2, respectively. These parameters provide a good description in both short- and long-range interaction regimes. While the old ILP parameters published in "(Leven2)"_#Leven2 and "(Maaravi)"_#Maaravi2 are only suitable for long-range interaction regime. This feature is essential for simulations in high pressure regime (i.e., the interlayer distance is smaller than the equilibrium distance). The benchmark tests and comparison of these parameters can be found in "(Ouyang1)"_#Ouyang1 and "(Ouyang2)"_#Ouyang2. NOTE: Four new sets of parameters of ILP for 2D layered Materials with bilayer and bulk configurations are presented in "(Ouyang1)"_#Ouyang1 and "(Ouyang2)"_#Ouyang2, respectively. These parameters provide a good description in both short- and long-range interaction regimes. While the old ILP parameters published in "(Leven2)"_#Leven2 and "(Maaravi)"_#Maaravi2 are only suitable for long-range interaction regime. This feature is essential for simulations in high pressure regime (i.e., the interlayer distance is smaller than the equilibrium distance). The benchmark tests and comparison of these paramete can be found in "(Ouyang1)"_#Ouyang1 and "(Ouyang2)"_#Ouyang2. This potential must be used in combination with hybrid/overlay. Other interactions can be set to zero using pair_style {none}. Loading
doc/txt/pair_kolmogorov_crespi_full.txt +2 −1 Original line number Diff line number Diff line Loading @@ -69,7 +69,8 @@ parameters (CC.KC) published in "(Kolmogorov)"_#Kolmogorov1 are only suitable for long-range interaction regime. This feature is essential for simulations in high pressure regime (i.e., the interlayer distance is smaller than the equilibrium distance). The benchmark tests and comparison of these parameters can be found in "(Ouyang1)"_#Ouyang3" and (Ouyang2)"_#Ouyang4. comparison of these parameters can be found in "(Ouyang1)"_#Ouyang3" and (Ouyang2)"_#Ouyang4. This potential must be used in combination with hybrid/overlay. Other interactions can be set to zero using pair_style {none}. Loading
