Loading doc/src/Commands_pair.txt +1 −0 Original line number Diff line number Diff line Loading @@ -80,6 +80,7 @@ OPT. "dpd/fdt/energy (k)"_pair_dpd_fdt.html, "dpd/tstat (go)"_pair_dpd.html, "dsmc"_pair_dsmc.html, "drip"_pair_drip.html, "eam (gikot)"_pair_eam.html, "eam/alloy (gikot)"_pair_eam.html, "eam/cd (o)"_pair_eam.html, Loading doc/src/lammps.book +1 −0 Original line number Diff line number Diff line Loading @@ -572,6 +572,7 @@ pair_dipole.html pair_dpd.html pair_dpd_fdt.html pair_dsmc.html pair_drip.html pair_eam.html pair_edip.html pair_eff.html Loading doc/src/pair_drip.txt +2 −2 Original line number Diff line number Diff line Loading @@ -34,7 +34,7 @@ pair_coeff * * rebo CH.airebo C H :pre Style {drip} computes the interlayer interactions of layered materials using the dihedral-angle-corrected registry-dependent (DRIP) potential as described in "(Wen)"_#Wen2018, which is based on the "(Kolmogorov)"_#Kolmogorov2005 potential and provides an improvded prediction for forces. potential and provides an improved prediction for forces. The total potential energy of a system is :c,image(Eqs/pair_drip.jpg) Loading Loading @@ -117,7 +117,7 @@ pair interactions. The {C.drip} parameter file provided with LAMMPS (see the "potentials" directory) is parameterized for metal "units"_units.html. You can use the DRIP potential with any LAMMPS units, but you would need to create your own cutstom potential with any LAMMPS units, but you would need to create your own custom parameter file with coefficients listed in the appropriate units, if your simulation doesn't use "metal" units. Loading doc/src/pair_ilp_graphene_hbn.txt +4 −3 Original line number Diff line number Diff line Loading @@ -50,11 +50,11 @@ calculating the normals. NOTE: This potential (ILP) is intended for interlayer interactions between two different layers of graphene, hexagonal boron nitride (h-BN) and their hetero-junction. To perform a realistic simulation, this potential must be used in combination with intra-layer potential, such as "AIREBO"_pair_airebo.html or "Tersoff"_pair_tersoff.html potential. To keep the intra-layer properties unaffected, the interlayer interaction intralayer potential, such as "AIREBO"_pair_airebo.html or "Tersoff"_pair_tersoff.html potential. To keep the intralayer properties unaffected, the interlayer interaction within the same layers should be avoided. Hence, each atom has to have a layer identifier such that atoms residing on the same layer interact via the appropriate intra-layer potential and atoms residing on different layers appropriate intralayer potential and atoms residing on different layers interact via the ILP. Here, the molecule id is chosen as the layer identifier, thus a data file with the "full" atom style is required to use this potential. Loading Loading @@ -117,6 +117,7 @@ units, if your simulation does not use {metal} units. "pair_coeff"_pair_coeff.html, "pair_none"_pair_none.html, "pair_style hybrid/overlay"_pair_hybrid.html, "pair_style drip"_pair_drip.html, "pair_style pair_kolmogorov_crespi_z"_pair_kolmogorov_crespi_z.html, "pair_style pair_kolmogorov_crespi_full"_pair_kolmogorov_crespi_full.html, "pair_style pair_lebedeva_z"_pair_lebedeva_z.html, Loading doc/src/pair_kolmogorov_crespi_full.txt +4 −3 Original line number Diff line number Diff line Loading @@ -44,12 +44,12 @@ can be found in pair style "ilp/graphene/hbn"_pair_ilp_graphene_hbn.html. NOTE: This potential (ILP) is intended for interlayer interactions between two different layers of graphene. To perform a realistic simulation, this potential must be used in combination with intra-layer potential, such as must be used in combination with intralayer potential, such as "AIREBO"_pair_airebo.html or "Tersoff"_pair_tersoff.html potential. To keep the intra-layer properties unaffected, the interlayer interaction To keep the intralayer properties unaffected, the interlayer interaction within the same layers should be avoided. Hence, each atom has to have a layer identifier such that atoms residing on the same layer interact via the appropriate intra-layer potential and atoms residing on different layers appropriate intralayer potential and atoms residing on different layers interact via the ILP. Here, the molecule id is chosen as the layer identifier, thus a data file with the "full" atom style is required to use this potential. Loading Loading @@ -106,6 +106,7 @@ units. "pair_coeff"_pair_coeff.html, "pair_none"_pair_none.html, "pair_style hybrid/overlay"_pair_hybrid.html, "pair_style drip"_pair_drip.html, "pair_style pair_lebedeva_z"_pair_lebedeva_z.html, "pair_style kolmogorov/crespi/z"_pair_kolmogorov_crespi_z.html, "pair_style ilp/graphene/hbn"_pair_ilp_graphene_hbn.html. Loading Loading
doc/src/Commands_pair.txt +1 −0 Original line number Diff line number Diff line Loading @@ -80,6 +80,7 @@ OPT. "dpd/fdt/energy (k)"_pair_dpd_fdt.html, "dpd/tstat (go)"_pair_dpd.html, "dsmc"_pair_dsmc.html, "drip"_pair_drip.html, "eam (gikot)"_pair_eam.html, "eam/alloy (gikot)"_pair_eam.html, "eam/cd (o)"_pair_eam.html, Loading
doc/src/lammps.book +1 −0 Original line number Diff line number Diff line Loading @@ -572,6 +572,7 @@ pair_dipole.html pair_dpd.html pair_dpd_fdt.html pair_dsmc.html pair_drip.html pair_eam.html pair_edip.html pair_eff.html Loading
doc/src/pair_drip.txt +2 −2 Original line number Diff line number Diff line Loading @@ -34,7 +34,7 @@ pair_coeff * * rebo CH.airebo C H :pre Style {drip} computes the interlayer interactions of layered materials using the dihedral-angle-corrected registry-dependent (DRIP) potential as described in "(Wen)"_#Wen2018, which is based on the "(Kolmogorov)"_#Kolmogorov2005 potential and provides an improvded prediction for forces. potential and provides an improved prediction for forces. The total potential energy of a system is :c,image(Eqs/pair_drip.jpg) Loading Loading @@ -117,7 +117,7 @@ pair interactions. The {C.drip} parameter file provided with LAMMPS (see the "potentials" directory) is parameterized for metal "units"_units.html. You can use the DRIP potential with any LAMMPS units, but you would need to create your own cutstom potential with any LAMMPS units, but you would need to create your own custom parameter file with coefficients listed in the appropriate units, if your simulation doesn't use "metal" units. Loading
doc/src/pair_ilp_graphene_hbn.txt +4 −3 Original line number Diff line number Diff line Loading @@ -50,11 +50,11 @@ calculating the normals. NOTE: This potential (ILP) is intended for interlayer interactions between two different layers of graphene, hexagonal boron nitride (h-BN) and their hetero-junction. To perform a realistic simulation, this potential must be used in combination with intra-layer potential, such as "AIREBO"_pair_airebo.html or "Tersoff"_pair_tersoff.html potential. To keep the intra-layer properties unaffected, the interlayer interaction intralayer potential, such as "AIREBO"_pair_airebo.html or "Tersoff"_pair_tersoff.html potential. To keep the intralayer properties unaffected, the interlayer interaction within the same layers should be avoided. Hence, each atom has to have a layer identifier such that atoms residing on the same layer interact via the appropriate intra-layer potential and atoms residing on different layers appropriate intralayer potential and atoms residing on different layers interact via the ILP. Here, the molecule id is chosen as the layer identifier, thus a data file with the "full" atom style is required to use this potential. Loading Loading @@ -117,6 +117,7 @@ units, if your simulation does not use {metal} units. "pair_coeff"_pair_coeff.html, "pair_none"_pair_none.html, "pair_style hybrid/overlay"_pair_hybrid.html, "pair_style drip"_pair_drip.html, "pair_style pair_kolmogorov_crespi_z"_pair_kolmogorov_crespi_z.html, "pair_style pair_kolmogorov_crespi_full"_pair_kolmogorov_crespi_full.html, "pair_style pair_lebedeva_z"_pair_lebedeva_z.html, Loading
doc/src/pair_kolmogorov_crespi_full.txt +4 −3 Original line number Diff line number Diff line Loading @@ -44,12 +44,12 @@ can be found in pair style "ilp/graphene/hbn"_pair_ilp_graphene_hbn.html. NOTE: This potential (ILP) is intended for interlayer interactions between two different layers of graphene. To perform a realistic simulation, this potential must be used in combination with intra-layer potential, such as must be used in combination with intralayer potential, such as "AIREBO"_pair_airebo.html or "Tersoff"_pair_tersoff.html potential. To keep the intra-layer properties unaffected, the interlayer interaction To keep the intralayer properties unaffected, the interlayer interaction within the same layers should be avoided. Hence, each atom has to have a layer identifier such that atoms residing on the same layer interact via the appropriate intra-layer potential and atoms residing on different layers appropriate intralayer potential and atoms residing on different layers interact via the ILP. Here, the molecule id is chosen as the layer identifier, thus a data file with the "full" atom style is required to use this potential. Loading Loading @@ -106,6 +106,7 @@ units. "pair_coeff"_pair_coeff.html, "pair_none"_pair_none.html, "pair_style hybrid/overlay"_pair_hybrid.html, "pair_style drip"_pair_drip.html, "pair_style pair_lebedeva_z"_pair_lebedeva_z.html, "pair_style kolmogorov/crespi/z"_pair_kolmogorov_crespi_z.html, "pair_style ilp/graphene/hbn"_pair_ilp_graphene_hbn.html. Loading
