Loading doc/src/Section_commands.txt +1 −1 Original line number Original line Diff line number Diff line Loading @@ -1091,7 +1091,7 @@ package"_Section_start.html#start_3. "harmonic/shift (o)"_bond_harmonic_shift.html, "harmonic/shift (o)"_bond_harmonic_shift.html, "harmonic/shift/cut (o)"_bond_harmonic_shift_cut.html, "harmonic/shift/cut (o)"_bond_harmonic_shift_cut.html, "oxdna/fene (o)"_bond_oxdna_fene.html :tb(c=4,ea=c) "oxdna/fene"_bond_oxdna_fene.html :tb(c=4,ea=c) :line :line Loading doc/src/compute_coord_atom.txt +57 −46 Original line number Original line Diff line number Diff line Loading @@ -12,19 +12,16 @@ compute coord/atom command :h3 compute ID group-ID coord/atom cstyle args ... :pre compute ID group-ID coord/atom cstyle args ... :pre ID, group-ID are documented in "compute"_compute.html command ID, group-ID are documented in "compute"_compute.html command :ulb,l coord/atom = style name of this compute command coord/atom = style name of this compute command :l one cstyle must be appended :ul cstyle = {cutoff} or {orientorder} :l cstyle = {cutoff} or {orientorder} {cutoff} args = cutoff typeN {cutoff} args = cutoff typeN cutoff = distance within which to count coordination neighbors (distance units) cutoff = distance within which to count coordination neighbors (distance units) typeN = atom type for Nth coordination count (see asterisk form below) :pre typeN = atom type for Nth coordination count (see asterisk form below) {orientorder} args = orientorderID threshold {orientorder} args = orientorderID threshold orientorderID = ID of a previously defined orientorder/atom compute orientorderID = ID of an orientorder/atom compute threshold = minimum value of the scalar product between two 'connected' atoms (see text for explanation) :pre threshold = minimum value of the product of two "connected" atoms :pre :ule [Examples:] [Examples:] Loading @@ -35,21 +32,21 @@ compute 1 all coord/atom orientorder 2 0.5 :pre [Description:] [Description:] This compute performs generic calculations between neighboring atoms. So far, This compute performs calculations between neighboring atoms to there are two cstyles implemented: {cutoff} and {orientorder}. determine a coordination value. The specific calculation and the The {cutoff} cstyle calculates one or more coordination numbers meaning of the resulting value depend on the {cstyle} keyword used. for each atom in a group. A coordination number is defined as the number of neighbor atoms with The {cutoff} cstyle calculates one or more traditional coordination specified atom type(s) that are within the specified cutoff distance numbers for each atom. A coordination number is defined as the number from the central atom. Atoms not in the group are included in a of neighbor atoms with specified atom type(s) that are within the coordination number of atoms in the group. specified cutoff distance from the central atom. Atoms not in the specified group are included in the coordination number tally. The {typeN} keywords allow you to specify which atom types contribute The {typeN} keywords allow specification of which atom types to each coordination number. One coordination number is computed for contribute to each coordination number. One coordination number is each of the {typeN} keywords listed. If no {typeN} keywords are computed for each of the {typeN} keywords listed. If no {typeN} listed, a single coordination number is calculated, which includes keywords are listed, a single coordination number is calculated, which atoms of all types (same as the "*" format, see below). includes atoms of all types (same as the "*" format, see below). The {typeN} keywords can be specified in one of two ways. An explicit The {typeN} keywords can be specified in one of two ways. An explicit numeric value can be used, as in the 2nd example above. Or a numeric value can be used, as in the 2nd example above. Or a Loading @@ -61,16 +58,27 @@ from 1 to N. A leading asterisk means all types from 1 to n (inclusive). A middle asterisk means all types from m to n (inclusive). A middle asterisk means all types from m to n (inclusive). (inclusive). The {orientorder} cstyle calculates the number of 'connected' atoms j The {orientorder} cstyle calculates the number of "connected" neighbor around each atom i. The atom j is connected to i if the scalar product atoms J around each central atom I. For this {cstyle}, connected is ({Ybar_lm(i)},{Ybar_lm(j)}) is larger than {threshold}. Thus, this cstyle defined by the orientational order parameter calculated by the will work only if a "compute orientorder/atom"_compute_orientorder_atom.html "compute orientorder/atom"_compute_orientorder_atom.html command. has been previously defined. This cstyle allows one to apply the This {cstyle} thus allows one to apply the ten Wolde's criterion to ten Wolde's criterion to identify cristal-like atoms in a system identify crystal-like atoms in a system, as discussed in "ten (see "ten Wolde et al."_#tenWolde). Wolde"_#tenWolde. The value of all coordination numbers will be 0.0 for atoms not in the The ID of the previously specified "compute specified compute group. orientorder/atom"_compute_orientorder/atom command is specified as {orientorderID}. The compute must invoke its {components} option to calculate components of the {Ybar_lm} vector for each atoms, as described in its documenation. Note that orientorder/atom compute defines its own criteria for identifying neighboring atoms. If the scalar product ({Ybar_lm(i)},{Ybar_lm(j)}), calculated by the orientorder/atom compute is larger than the specified {threshold}, then I and J are connected, and the coordination value of I is incremented by one. For all {cstyle} settings, all coordination values will be 0.0 for atoms not in the specified compute group. The neighbor list needed to compute this quantity is constructed each The neighbor list needed to compute this quantity is constructed each time the calculation is performed (i.e. each time a snapshot of atoms time the calculation is performed (i.e. each time a snapshot of atoms Loading @@ -92,21 +100,23 @@ the neighbor list. [Output info:] [Output info:] If single {type1} keyword is specified (or if none are specified), For {cstyle} cutoff, this compute can calculate a per-atom vector or this compute calculates a per-atom vector. If multiple {typeN} array. If single {type1} keyword is specified (or if none are keywords are specified, this compute calculates a per-atom array, with specified), this compute calculates a per-atom vector. If multiple N columns. These values can be accessed by any command that uses {typeN} keywords are specified, this compute calculates a per-atom per-atom values from a compute as input. See "Section array, with N columns. For {cstyle} orientorder, this compute calculates a per-atom vector. These values can be accessed by any command that uses per-atom values from a compute as input. See "Section 6.15"_Section_howto.html#howto_15 for an overview of LAMMPS output 6.15"_Section_howto.html#howto_15 for an overview of LAMMPS output options. options. The per-atom vector or array values will be a number >= 0.0, as The per-atom vector or array values will be a number >= 0.0, as explained above. explained above. [Restrictions:] [Restrictions:] none The cstyle {orientorder} can only be used if a "compute orientorder/atom"_compute_orientorder_atom.html command was previously defined. Otherwise, an error message will be issued. [Related commands:] [Related commands:] Loading @@ -118,4 +128,5 @@ was previously defined. Otherwise, an error message will be issued. :line :line :link(tenWolde) :link(tenWolde) [(tenWolde)] P. R. ten Wolde, M. J. Ruiz-Montero, D. Frenkel, J. Chem. Phys. 104, 9932 (1996). [(tenWolde)] P. R. ten Wolde, M. J. Ruiz-Montero, D. Frenkel, J. Chem. Phys. 104, 9932 (1996). doc/src/compute_orientorder_atom.txt +35 −27 Original line number Original line Diff line number Diff line Loading @@ -19,7 +19,7 @@ keyword = {cutoff} or {nnn} or {degrees} or {components} {cutoff} value = distance cutoff {cutoff} value = distance cutoff {nnn} value = number of nearest neighbors {nnn} value = number of nearest neighbors {degrees} values = nlvalues, l1, l2,... {degrees} values = nlvalues, l1, l2,... {components} value = l :pre {components} value = ldegree :pre :ule :ule Loading Loading @@ -64,21 +64,21 @@ specified distance cutoff are used. The optional keyword {degrees} defines the list of order parameters to The optional keyword {degrees} defines the list of order parameters to be computed. The first argument {nlvalues} is the number of order be computed. The first argument {nlvalues} is the number of order parameters. This is followed by that number of integers giving the parameters. This is followed by that number of integers giving the degree of each order parameter. Because {Q}2 and all odd-degree degree of each order parameter. Because {Q}2 and all odd-degree order order parameters are zero for atoms in cubic crystals parameters are zero for atoms in cubic crystals (see (see "Steinhardt"_#Steinhardt), the default order parameters "Steinhardt"_#Steinhardt), the default order parameters are {Q}4, are {Q}4, {Q}6, {Q}8, {Q}10, and {Q}12. For the {Q}6, {Q}8, {Q}10, and {Q}12. For the FCC crystal with {nnn}=12, {Q}4 FCC crystal with {nnn}=12, {Q}4 = sqrt(7/3)/8 = 0.19094.... = sqrt(7/3)/8 = 0.19094.... The numerical values of all order The numerical values of all order parameters up to {Q}12 parameters up to {Q}12 for a range of commonly encountered for a range of commonly encountered high-symmetry structures are given high-symmetry structures are given in Table I of "Mickel et in Table I of "Mickel et al."_#Mickel. al."_#Mickel. The optional keyword {components} will output the components of The optional keyword {components} will output the components of the the normalized complex vector {Ybar_lm} of degree {l}, which must be normalized complex vector {Ybar_lm} of degree {ldegree}, which must be explicitly included in the keyword {degrees}. This option can be used explicitly included in the keyword {degrees}. This option can be used in conjunction with "compute coord_atom"_compute_coord_atom.html to in conjunction with "compute coord_atom"_compute_coord_atom.html to calculate the ten Wolde's criterion to identify crystal-like particles calculate the ten Wolde's criterion to identify crystal-like (see "ten Wolde et al."_#tenWolde96). particles, as discussed in "ten Wolde"_#tenWolde. The value of {Ql} is set to zero for atoms not in the The value of {Ql} is set to zero for atoms not in the specified compute group, as well as for atoms that have less than specified compute group, as well as for atoms that have less than Loading @@ -104,14 +104,16 @@ the neighbor list. [Output info:] [Output info:] This compute calculates a per-atom array with {nlvalues} columns, giving the This compute calculates a per-atom array with {nlvalues} columns, {Ql} values for each atom, which are real numbers on the range 0 <= {Ql} <= 1. giving the {Ql} values for each atom, which are real numbers on the range 0 <= {Ql} <= 1. If the keyword {components} is set, then the real and imaginary parts of each If the keyword {components} is set, then the real and imaginary parts component of (normalized) {Ybar_lm} will be added to the output array in the of each component of (normalized) {Ybar_lm} will be added to the following order: output array in the following order: Re({Ybar_-m}) Im({Ybar_-m}) Re({Ybar_-m}) Im({Ybar_-m}) Re({Ybar_-m+1}) Im({Ybar_-m+1}) ... Re({Ybar_m}) Im({Ybar_m}). Re({Ybar_-m+1}) Im({Ybar_-m+1}) ... Re({Ybar_m}) Im({Ybar_m}). This This way, the per-atom array will have a total of {nlvalues}+2*(2{l}+1) columns. way, the per-atom array will have a total of {nlvalues}+2*(2{l}+1) columns. These values can be accessed by any command that uses These values can be accessed by any command that uses per-atom values from a compute as input. See "Section per-atom values from a compute as input. See "Section Loading @@ -122,19 +124,25 @@ options. [Related commands:] [Related commands:] "compute coord/atom"_compute_coord_atom.html, "compute centro/atom"_compute_centro_atom.html, "compute hexorder/atom"_compute_hexorder_atom.html "compute coord/atom"_compute_coord_atom.html, "compute centro/atom"_compute_centro_atom.html, "compute hexorder/atom"_compute_hexorder_atom.html [Default:] [Default:] The option defaults are {cutoff} = pair style cutoff, {nnn} = 12, {degrees} = 5 4 6 8 10 12 i.e. {Q}4, {Q}6, {Q}8, {Q}10, and {Q}12. The option defaults are {cutoff} = pair style cutoff, {nnn} = 12, {degrees} = 5 4 6 8 10 12 i.e. {Q}4, {Q}6, {Q}8, {Q}10, and {Q}12. :line :line :link(Steinhardt) :link(Steinhardt) [(Steinhardt)] P. Steinhardt, D. Nelson, and M. Ronchetti, Phys. Rev. B 28, 784 (1983). [(Steinhardt)] P. Steinhardt, D. Nelson, and M. Ronchetti, Phys. Rev. B 28, 784 (1983). :link(Mickel) :link(Mickel) [(Mickel)] W. Mickel, S. C. Kapfer, G. E. Schroeder-Turkand, K. Mecke, J. Chem. Phys. 138, 044501 (2013). [(Mickel)] W. Mickel, S. C. Kapfer, G. E. Schroeder-Turkand, K. Mecke, J. Chem. Phys. 138, 044501 (2013). :link(tenWolde96) :link(tenWolde) [(tenWolde)] P. R. ten Wolde, M. J. Ruiz-Montero, D. Frenkel, J. Chem. Phys. 104, 9932 (1996). [(tenWolde)] P. R. ten Wolde, M. J. Ruiz-Montero, D. Frenkel, J. Chem. Phys. 104, 9932 (1996). Loading
doc/src/Section_commands.txt +1 −1 Original line number Original line Diff line number Diff line Loading @@ -1091,7 +1091,7 @@ package"_Section_start.html#start_3. "harmonic/shift (o)"_bond_harmonic_shift.html, "harmonic/shift (o)"_bond_harmonic_shift.html, "harmonic/shift/cut (o)"_bond_harmonic_shift_cut.html, "harmonic/shift/cut (o)"_bond_harmonic_shift_cut.html, "oxdna/fene (o)"_bond_oxdna_fene.html :tb(c=4,ea=c) "oxdna/fene"_bond_oxdna_fene.html :tb(c=4,ea=c) :line :line Loading
doc/src/compute_coord_atom.txt +57 −46 Original line number Original line Diff line number Diff line Loading @@ -12,19 +12,16 @@ compute coord/atom command :h3 compute ID group-ID coord/atom cstyle args ... :pre compute ID group-ID coord/atom cstyle args ... :pre ID, group-ID are documented in "compute"_compute.html command ID, group-ID are documented in "compute"_compute.html command :ulb,l coord/atom = style name of this compute command coord/atom = style name of this compute command :l one cstyle must be appended :ul cstyle = {cutoff} or {orientorder} :l cstyle = {cutoff} or {orientorder} {cutoff} args = cutoff typeN {cutoff} args = cutoff typeN cutoff = distance within which to count coordination neighbors (distance units) cutoff = distance within which to count coordination neighbors (distance units) typeN = atom type for Nth coordination count (see asterisk form below) :pre typeN = atom type for Nth coordination count (see asterisk form below) {orientorder} args = orientorderID threshold {orientorder} args = orientorderID threshold orientorderID = ID of a previously defined orientorder/atom compute orientorderID = ID of an orientorder/atom compute threshold = minimum value of the scalar product between two 'connected' atoms (see text for explanation) :pre threshold = minimum value of the product of two "connected" atoms :pre :ule [Examples:] [Examples:] Loading @@ -35,21 +32,21 @@ compute 1 all coord/atom orientorder 2 0.5 :pre [Description:] [Description:] This compute performs generic calculations between neighboring atoms. So far, This compute performs calculations between neighboring atoms to there are two cstyles implemented: {cutoff} and {orientorder}. determine a coordination value. The specific calculation and the The {cutoff} cstyle calculates one or more coordination numbers meaning of the resulting value depend on the {cstyle} keyword used. for each atom in a group. A coordination number is defined as the number of neighbor atoms with The {cutoff} cstyle calculates one or more traditional coordination specified atom type(s) that are within the specified cutoff distance numbers for each atom. A coordination number is defined as the number from the central atom. Atoms not in the group are included in a of neighbor atoms with specified atom type(s) that are within the coordination number of atoms in the group. specified cutoff distance from the central atom. Atoms not in the specified group are included in the coordination number tally. The {typeN} keywords allow you to specify which atom types contribute The {typeN} keywords allow specification of which atom types to each coordination number. One coordination number is computed for contribute to each coordination number. One coordination number is each of the {typeN} keywords listed. If no {typeN} keywords are computed for each of the {typeN} keywords listed. If no {typeN} listed, a single coordination number is calculated, which includes keywords are listed, a single coordination number is calculated, which atoms of all types (same as the "*" format, see below). includes atoms of all types (same as the "*" format, see below). The {typeN} keywords can be specified in one of two ways. An explicit The {typeN} keywords can be specified in one of two ways. An explicit numeric value can be used, as in the 2nd example above. Or a numeric value can be used, as in the 2nd example above. Or a Loading @@ -61,16 +58,27 @@ from 1 to N. A leading asterisk means all types from 1 to n (inclusive). A middle asterisk means all types from m to n (inclusive). A middle asterisk means all types from m to n (inclusive). (inclusive). The {orientorder} cstyle calculates the number of 'connected' atoms j The {orientorder} cstyle calculates the number of "connected" neighbor around each atom i. The atom j is connected to i if the scalar product atoms J around each central atom I. For this {cstyle}, connected is ({Ybar_lm(i)},{Ybar_lm(j)}) is larger than {threshold}. Thus, this cstyle defined by the orientational order parameter calculated by the will work only if a "compute orientorder/atom"_compute_orientorder_atom.html "compute orientorder/atom"_compute_orientorder_atom.html command. has been previously defined. This cstyle allows one to apply the This {cstyle} thus allows one to apply the ten Wolde's criterion to ten Wolde's criterion to identify cristal-like atoms in a system identify crystal-like atoms in a system, as discussed in "ten (see "ten Wolde et al."_#tenWolde). Wolde"_#tenWolde. The value of all coordination numbers will be 0.0 for atoms not in the The ID of the previously specified "compute specified compute group. orientorder/atom"_compute_orientorder/atom command is specified as {orientorderID}. The compute must invoke its {components} option to calculate components of the {Ybar_lm} vector for each atoms, as described in its documenation. Note that orientorder/atom compute defines its own criteria for identifying neighboring atoms. If the scalar product ({Ybar_lm(i)},{Ybar_lm(j)}), calculated by the orientorder/atom compute is larger than the specified {threshold}, then I and J are connected, and the coordination value of I is incremented by one. For all {cstyle} settings, all coordination values will be 0.0 for atoms not in the specified compute group. The neighbor list needed to compute this quantity is constructed each The neighbor list needed to compute this quantity is constructed each time the calculation is performed (i.e. each time a snapshot of atoms time the calculation is performed (i.e. each time a snapshot of atoms Loading @@ -92,21 +100,23 @@ the neighbor list. [Output info:] [Output info:] If single {type1} keyword is specified (or if none are specified), For {cstyle} cutoff, this compute can calculate a per-atom vector or this compute calculates a per-atom vector. If multiple {typeN} array. If single {type1} keyword is specified (or if none are keywords are specified, this compute calculates a per-atom array, with specified), this compute calculates a per-atom vector. If multiple N columns. These values can be accessed by any command that uses {typeN} keywords are specified, this compute calculates a per-atom per-atom values from a compute as input. See "Section array, with N columns. For {cstyle} orientorder, this compute calculates a per-atom vector. These values can be accessed by any command that uses per-atom values from a compute as input. See "Section 6.15"_Section_howto.html#howto_15 for an overview of LAMMPS output 6.15"_Section_howto.html#howto_15 for an overview of LAMMPS output options. options. The per-atom vector or array values will be a number >= 0.0, as The per-atom vector or array values will be a number >= 0.0, as explained above. explained above. [Restrictions:] [Restrictions:] none The cstyle {orientorder} can only be used if a "compute orientorder/atom"_compute_orientorder_atom.html command was previously defined. Otherwise, an error message will be issued. [Related commands:] [Related commands:] Loading @@ -118,4 +128,5 @@ was previously defined. Otherwise, an error message will be issued. :line :line :link(tenWolde) :link(tenWolde) [(tenWolde)] P. R. ten Wolde, M. J. Ruiz-Montero, D. Frenkel, J. Chem. Phys. 104, 9932 (1996). [(tenWolde)] P. R. ten Wolde, M. J. Ruiz-Montero, D. Frenkel, J. Chem. Phys. 104, 9932 (1996).
doc/src/compute_orientorder_atom.txt +35 −27 Original line number Original line Diff line number Diff line Loading @@ -19,7 +19,7 @@ keyword = {cutoff} or {nnn} or {degrees} or {components} {cutoff} value = distance cutoff {cutoff} value = distance cutoff {nnn} value = number of nearest neighbors {nnn} value = number of nearest neighbors {degrees} values = nlvalues, l1, l2,... {degrees} values = nlvalues, l1, l2,... {components} value = l :pre {components} value = ldegree :pre :ule :ule Loading Loading @@ -64,21 +64,21 @@ specified distance cutoff are used. The optional keyword {degrees} defines the list of order parameters to The optional keyword {degrees} defines the list of order parameters to be computed. The first argument {nlvalues} is the number of order be computed. The first argument {nlvalues} is the number of order parameters. This is followed by that number of integers giving the parameters. This is followed by that number of integers giving the degree of each order parameter. Because {Q}2 and all odd-degree degree of each order parameter. Because {Q}2 and all odd-degree order order parameters are zero for atoms in cubic crystals parameters are zero for atoms in cubic crystals (see (see "Steinhardt"_#Steinhardt), the default order parameters "Steinhardt"_#Steinhardt), the default order parameters are {Q}4, are {Q}4, {Q}6, {Q}8, {Q}10, and {Q}12. For the {Q}6, {Q}8, {Q}10, and {Q}12. For the FCC crystal with {nnn}=12, {Q}4 FCC crystal with {nnn}=12, {Q}4 = sqrt(7/3)/8 = 0.19094.... = sqrt(7/3)/8 = 0.19094.... The numerical values of all order The numerical values of all order parameters up to {Q}12 parameters up to {Q}12 for a range of commonly encountered for a range of commonly encountered high-symmetry structures are given high-symmetry structures are given in Table I of "Mickel et in Table I of "Mickel et al."_#Mickel. al."_#Mickel. The optional keyword {components} will output the components of The optional keyword {components} will output the components of the the normalized complex vector {Ybar_lm} of degree {l}, which must be normalized complex vector {Ybar_lm} of degree {ldegree}, which must be explicitly included in the keyword {degrees}. This option can be used explicitly included in the keyword {degrees}. This option can be used in conjunction with "compute coord_atom"_compute_coord_atom.html to in conjunction with "compute coord_atom"_compute_coord_atom.html to calculate the ten Wolde's criterion to identify crystal-like particles calculate the ten Wolde's criterion to identify crystal-like (see "ten Wolde et al."_#tenWolde96). particles, as discussed in "ten Wolde"_#tenWolde. The value of {Ql} is set to zero for atoms not in the The value of {Ql} is set to zero for atoms not in the specified compute group, as well as for atoms that have less than specified compute group, as well as for atoms that have less than Loading @@ -104,14 +104,16 @@ the neighbor list. [Output info:] [Output info:] This compute calculates a per-atom array with {nlvalues} columns, giving the This compute calculates a per-atom array with {nlvalues} columns, {Ql} values for each atom, which are real numbers on the range 0 <= {Ql} <= 1. giving the {Ql} values for each atom, which are real numbers on the range 0 <= {Ql} <= 1. If the keyword {components} is set, then the real and imaginary parts of each If the keyword {components} is set, then the real and imaginary parts component of (normalized) {Ybar_lm} will be added to the output array in the of each component of (normalized) {Ybar_lm} will be added to the following order: output array in the following order: Re({Ybar_-m}) Im({Ybar_-m}) Re({Ybar_-m}) Im({Ybar_-m}) Re({Ybar_-m+1}) Im({Ybar_-m+1}) ... Re({Ybar_m}) Im({Ybar_m}). Re({Ybar_-m+1}) Im({Ybar_-m+1}) ... Re({Ybar_m}) Im({Ybar_m}). This This way, the per-atom array will have a total of {nlvalues}+2*(2{l}+1) columns. way, the per-atom array will have a total of {nlvalues}+2*(2{l}+1) columns. These values can be accessed by any command that uses These values can be accessed by any command that uses per-atom values from a compute as input. See "Section per-atom values from a compute as input. See "Section Loading @@ -122,19 +124,25 @@ options. [Related commands:] [Related commands:] "compute coord/atom"_compute_coord_atom.html, "compute centro/atom"_compute_centro_atom.html, "compute hexorder/atom"_compute_hexorder_atom.html "compute coord/atom"_compute_coord_atom.html, "compute centro/atom"_compute_centro_atom.html, "compute hexorder/atom"_compute_hexorder_atom.html [Default:] [Default:] The option defaults are {cutoff} = pair style cutoff, {nnn} = 12, {degrees} = 5 4 6 8 10 12 i.e. {Q}4, {Q}6, {Q}8, {Q}10, and {Q}12. The option defaults are {cutoff} = pair style cutoff, {nnn} = 12, {degrees} = 5 4 6 8 10 12 i.e. {Q}4, {Q}6, {Q}8, {Q}10, and {Q}12. :line :line :link(Steinhardt) :link(Steinhardt) [(Steinhardt)] P. Steinhardt, D. Nelson, and M. Ronchetti, Phys. Rev. B 28, 784 (1983). [(Steinhardt)] P. Steinhardt, D. Nelson, and M. Ronchetti, Phys. Rev. B 28, 784 (1983). :link(Mickel) :link(Mickel) [(Mickel)] W. Mickel, S. C. Kapfer, G. E. Schroeder-Turkand, K. Mecke, J. Chem. Phys. 138, 044501 (2013). [(Mickel)] W. Mickel, S. C. Kapfer, G. E. Schroeder-Turkand, K. Mecke, J. Chem. Phys. 138, 044501 (2013). :link(tenWolde96) :link(tenWolde) [(tenWolde)] P. R. ten Wolde, M. J. Ruiz-Montero, D. Frenkel, J. Chem. Phys. 104, 9932 (1996). [(tenWolde)] P. R. ten Wolde, M. J. Ruiz-Montero, D. Frenkel, J. Chem. Phys. 104, 9932 (1996).
