diff --git a/doc/src/Eqs/fix_integration_spin_stdecomposition.jpg b/doc/src/Eqs/fix_integration_spin_stdecomposition.jpg index 566b21544a912117f111d9b1e79090e9f41138b3..9cd8214b4c2be66334502ddb3fa8d2cc607b02c9 100644 Binary files a/doc/src/Eqs/fix_integration_spin_stdecomposition.jpg and b/doc/src/Eqs/fix_integration_spin_stdecomposition.jpg differ diff --git a/doc/src/Eqs/fix_langevin_spin_sLLG.jpg b/doc/src/Eqs/fix_langevin_spin_sLLG.jpg index dd0f08f8c223430c2bf7d006913551cd423522fe..f83aadd9eb1f61a70f34ab91ca89bfb32a9d7930 100644 Binary files a/doc/src/Eqs/fix_langevin_spin_sLLG.jpg and b/doc/src/Eqs/fix_langevin_spin_sLLG.jpg differ diff --git a/doc/src/Eqs/force_spin_aniso.jpg b/doc/src/Eqs/force_spin_aniso.jpg index dd0f493a252a4936f2eb270e8673d1257c1d210d..8bc9d7421c23853dcce1601df6b8ffc459a37605 100644 Binary files a/doc/src/Eqs/force_spin_aniso.jpg and b/doc/src/Eqs/force_spin_aniso.jpg differ diff --git a/doc/src/Eqs/force_spin_zeeman.jpg b/doc/src/Eqs/force_spin_zeeman.jpg index 424460970b13da25a6ab3e11c7db5d34c72dd395..14fb5500cf3328480bd30dc352de699575201bf8 100644 Binary files a/doc/src/Eqs/force_spin_zeeman.jpg and b/doc/src/Eqs/force_spin_zeeman.jpg differ diff --git a/doc/src/Eqs/pair_spin_exchange_forces.jpg b/doc/src/Eqs/pair_spin_exchange_forces.jpg index 34ea12348bfa024222971439de8627f06b9292e4..2b0469bf4db84885fd8b81679cdd9571ba9e3574 100644 Binary files a/doc/src/Eqs/pair_spin_exchange_forces.jpg and b/doc/src/Eqs/pair_spin_exchange_forces.jpg differ diff --git a/doc/src/Eqs/pair_spin_exchange_function.jpg b/doc/src/Eqs/pair_spin_exchange_function.jpg index afe09ec0578120d6933327652d29ba63cc252639..d9a7ed3ce0ba64ef054f9ca7c2115ab971d003e5 100644 Binary files a/doc/src/Eqs/pair_spin_exchange_function.jpg and b/doc/src/Eqs/pair_spin_exchange_function.jpg differ diff --git a/doc/src/Eqs/pair_spin_exchange_interaction.jpg b/doc/src/Eqs/pair_spin_exchange_interaction.jpg index 32670444b30ce7d24d9b67567cab11b584b6833b..d51524d27ca413ec4ded189107c2219b061f7d7e 100644 Binary files a/doc/src/Eqs/pair_spin_exchange_interaction.jpg and b/doc/src/Eqs/pair_spin_exchange_interaction.jpg differ diff --git a/doc/src/Eqs/pair_spin_me_forces.jpg b/doc/src/Eqs/pair_spin_me_forces.jpg index c2f181f1318027cfe084057c3ef4988c6c096034..d9ae440fb577c5f33d23029ff187175ba7163ac4 100644 Binary files a/doc/src/Eqs/pair_spin_me_forces.jpg and b/doc/src/Eqs/pair_spin_me_forces.jpg differ diff --git a/doc/src/Eqs/pair_spin_me_interaction.jpg b/doc/src/Eqs/pair_spin_me_interaction.jpg index 11011d2253b58c8e883c1678df0c352d9b230821..7b43a993af82e9d7e98783e96a2d5b16edbeb02e 100644 Binary files a/doc/src/Eqs/pair_spin_me_interaction.jpg and b/doc/src/Eqs/pair_spin_me_interaction.jpg differ diff --git a/doc/src/Eqs/pair_spin_soc_dmi_interaction.jpg b/doc/src/Eqs/pair_spin_soc_dmi_interaction.jpg index 0522bafd688739ed8d15f88f6dc1de8d8a1f2b69..74807b105d711c2724629968b417c043a852f18b 100644 Binary files a/doc/src/Eqs/pair_spin_soc_dmi_interaction.jpg and b/doc/src/Eqs/pair_spin_soc_dmi_interaction.jpg differ diff --git a/doc/src/fix_integration_spin.txt b/doc/src/fix_integration_spin.txt index d4e568a4f4ce230a1fd64d07540add9259158743..f03ddab79ef139a1c7a9c7cba950507a5e09eb6d 100644 --- a/doc/src/fix_integration_spin.txt +++ b/doc/src/fix_integration_spin.txt @@ -40,8 +40,8 @@ the equations of motion of the spin lattice system, following the scheme: according to the implementation reported in "(Omelyan)"_#Omelyan1. A sectoring enables this scheme for parallel calculations. -The implementation of this sectoring algorithm is reported in -"(Tranchida)"_#Tranchida1. +The implementation of this sectoring algorithm is reported +in "(Tranchida)"_#Tranchida1. :line @@ -51,7 +51,6 @@ This fix style can only be used if LAMMPS was built with the SPIN package. See the "Making LAMMPS"_Section_start.html#start_3 section for more info on packages. - [Related commands:] "atom_style spin"_atom_style.html, "fix nve"_fix_nve.html @@ -61,9 +60,8 @@ section for more info on packages. :line :link(Omelyan1) -[(Omelyan)] I.P. Omelyan, I.M. Mryglod, R. Folk. Phys. Rev. Lett. -86(5), 898. (2001) +[(Omelyan)] Omelyan, Mryglod, and Folk. Phys. Rev. Lett. +86(5), 898. (2001). :link(Tranchida1) -[(Tranchida)] J. Tranchida, S.J. Plimpton, P. Thibaudeau, A.P. Thompson. -arXiv preprint arXiv:1801.10233. (2018) +[(Tranchida)] Tranchida, Plimpton, Thibaudeau and Thompson. diff --git a/doc/src/fix_langevin_spin.txt b/doc/src/fix_langevin_spin.txt index f7e7e5a66ce3553ab31063d39ddb0d8d9c1c5ac7..8507f4aa4faddbedb6bd8b937679c54532c4bc4a 100644 --- a/doc/src/fix_langevin_spin.txt +++ b/doc/src/fix_langevin_spin.txt @@ -42,7 +42,7 @@ The components of eta are drawn from a Gaussian probability law. Their amplitude is defined as a proportion of the temperature of the external thermostat T (in K in metal units). -More details about this implementation are reported in "(Tranchida)"_#Tranchida1. +More details about this implementation are reported in "(Tranchida)"_#Tranchida2. Note: due to the form of the sLLG equation, this fix has to be the last defined magnetic fix before the integration/spin fix. As an example: @@ -97,6 +97,5 @@ This fix has to be the last defined magnetic fix before the integration fix :link(Mayergoyz1) [(Mayergoyz)] I.D. Mayergoyz, G. Bertotti, C. Serpico (2009). Elsevier (2009) -:link(Tranchida1) -[(Tranchida)] J. Tranchida, S.J. Plimpton, P. Thibaudeau, A.P. Thompson. -arXiv preprint arXiv:1801.10233. (2018) +:link(Tranchida2) +[(Tranchida)] Tranchida, Plimpton, Thibaudeau and Thompson. diff --git a/doc/src/fix_rigid.txt b/doc/src/fix_rigid.txt index eced602c4b3540bf95ef8fe17278e7baf697e4c0..24642a23acc4a04592a62e46d0a21132bb056136 100644 --- a/doc/src/fix_rigid.txt +++ b/doc/src/fix_rigid.txt @@ -118,8 +118,8 @@ Examples of large rigid bodies are a colloidal particle, or portions of a biomolecule such as a protein. Example of small rigid bodies are patchy nanoparticles, such as those -modeled in "this paper"_#Zhang1 by Sharon Glotzer's group, clumps of -granular particles, lipid molecules consisting of one or more point +modeled in "this paper"_#Zhang3 by Sharon Glotzer's group, clumps of +granular particles, lipid molecules consiting of one or more point dipoles connected to other spheroids or ellipsoids, irregular particles built from line segments (2d) or triangles (3d), and coarse-grain models of nano or colloidal particles consisting of a @@ -851,5 +851,5 @@ Martyna, Tuckerman, Tobias, Klein, Mol Phys, 87, 1117. [(Miller)] Miller, Eleftheriou, Pattnaik, Ndirango, and Newns, J Chem Phys, 116, 8649 (2002). -:link(Zhang1) +:link(Zhang3) [(Zhang)] Zhang, Glotzer, Nanoletters, 4, 1407-1413 (2004). diff --git a/doc/src/fix_thermal_conductivity.txt b/doc/src/fix_thermal_conductivity.txt index 0353c095b29d60e4be37a581968a70d06f778492..17631ac7f50ca625d426b7368ac5415e4e5a1f34 100644 --- a/doc/src/fix_thermal_conductivity.txt +++ b/doc/src/fix_thermal_conductivity.txt @@ -136,7 +136,7 @@ kinetic energy of atoms that are in constrained molecules, e.g. via "fix shake"_fix_shake.html or "fix rigid"_fix_rigid.html. This is because application of the constraints will alter the amount of transferred momentum. You should, however, be able to use flexible -molecules. See the "Zhang paper"_#Zhang2 for a discussion and results +molecules. See the "Zhang paper"_#Zhang1 for a discussion and results of this idea. When running a simulation with large, massive particles or molecules @@ -158,6 +158,6 @@ The option defaults are swap = 1. :link(Muller-Plathe1) [(Muller-Plathe)] Muller-Plathe, J Chem Phys, 106, 6082 (1997). -:link(Zhang2) +:link(Zhang1) [(Zhang)] Zhang, Lussetti, de Souza, Muller-Plathe, J Phys Chem B, 109, 15060-15067 (2005). diff --git a/doc/src/pair_gran.txt b/doc/src/pair_gran.txt index d7e87af013f002a6e6472a4ae45e3f5c27fd3de5..93aab51e5c83943823da859056238e547006b112 100644 --- a/doc/src/pair_gran.txt +++ b/doc/src/pair_gran.txt @@ -45,7 +45,7 @@ pair_style gran/hooke 200000.0 70000.0 50.0 30.0 0.5 0 :pre The {gran} styles use the following formulas for the frictional force between two granular particles, as described in "(Brilliantov)"_#Brilliantov, "(Silbert)"_#Silbert, and -"(Zhang)"_#Zhang3, when the distance r between two particles of radii +"(Zhang)"_#Zhang4, when the distance r between two particles of radii Ri and Rj is less than their contact distance d = Ri + Rj. There is no force between the particles when r > d. @@ -115,7 +115,7 @@ gamma_t is in units of (1/(time*distance)). Note that in the Hookean case, Kn can be thought of as a linear spring constant with units of force/distance. In the Hertzian case, Kn is like a non-linear spring constant with units of force/area or -pressure, and as shown in the "(Zhang)"_#Zhang3 paper, Kn = 4G / +pressure, and as shown in the "(Zhang)"_#Zhang4 paper, Kn = 4G / (3(1-nu)) where nu = the Poisson ratio, G = shear modulus = E / (2(1+nu)), and E = Young's modulus. Similarly, Kt = 4G / (2-nu). (NOTE: in an earlier version of the manual, we incorrectly stated that @@ -267,5 +267,5 @@ p 5382-5392 (1996). [(Silbert)] Silbert, Ertas, Grest, Halsey, Levine, Plimpton, Phys Rev E, 64, p 051302 (2001). -:link(Zhang3) +:link(Zhang4) [(Zhang)] Zhang and Makse, Phys Rev E, 72, p 011301 (2005). diff --git a/doc/src/pair_meam_spline.txt b/doc/src/pair_meam_spline.txt index 6653b397a0cd04e7dfb56aa1f4c8df9159a9e4a9..086854a0eb22054af485cf96436bb3e147202c4b 100644 --- a/doc/src/pair_meam_spline.txt +++ b/doc/src/pair_meam_spline.txt @@ -164,5 +164,9 @@ for more info. Kress, Modelling Simulation Materials Science Engineering, 8, 825 (2000). +<<<<<<< HEAD :link(Zhang4) +======= +:link(Zhang2) +>>>>>>> Documentation V1 [(Zhang)] Zhang and Trinkle, Computational Materials Science, 124, 204-210 (2016). diff --git a/doc/src/pair_spin_exchange.txt b/doc/src/pair_spin_exchange.txt index 01bd2edc31a9244ca53134f7b825cfb12620e4f6..c1b20dfe9480234df9d7e4168c02d8b3ae513540 100644 --- a/doc/src/pair_spin_exchange.txt +++ b/doc/src/pair_spin_exchange.txt @@ -45,7 +45,7 @@ The coefficients a, b, and d need to be fitted so that the function above matche the value of the exchange interaction for the N neighbor shells taken into account. Examples and more explanations about this function and its parametrization are reported -in "(Tranchida)"_#Tranchida1. +in "(Tranchida)"_#Tranchida3. From this exchange interaction, each spin i will be submitted to a magnetic torque omega, and its associated atom can be submitted to a @@ -57,7 +57,7 @@ force F for spin-lattice calculations (see with h the Planck constant (in metal units). More details about the derivation of these torques/forces are reported in -"(Tranchida)"_#Tranchida1. +"(Tranchida)"_#Tranchida3. :line @@ -77,6 +77,5 @@ See the "Making LAMMPS"_Section_start.html#start_3 section for more info. :line -:link(Tranchida1) -[(Tranchida)]https://arxiv.org/abs/1801.10233 - +:link(Tranchida3) +[(Tranchida)] Tranchida, Plimpton, Thibaudeau and Thompson. diff --git a/doc/src/pair_spin_me.txt b/doc/src/pair_spin_me.txt index 149a4c5f2cd60f56968823ab36a906d3ea48700f..8b3b69fdeeff95bf590a022fc3f050cf739fab4c 100644 --- a/doc/src/pair_spin_me.txt +++ b/doc/src/pair_spin_me.txt @@ -45,7 +45,7 @@ force F for spin-lattice calculations (see with h the Planck constant (in metal units). More details about the derivation of these torques/forces are reported in -"(Tranchida)"_#Tranchida1. +"(Tranchida)"_#Tranchida4. :line @@ -68,6 +68,5 @@ See the "Making LAMMPS"_Section_start.html#start_3 section for more info. :link(Katsura1) [(Katsura)] H. Katsura, N. Nagaosa, A.V. Balatsky. Phys. Rev. Lett., 95(5), 057205. (2005) -:link(Tranchida1) -[(Tranchida)] J. Tranchida, S.J. Plimpton, P. Thibaudeau, A.P. Thompson. -arXiv preprint arXiv:1801.10233. (2018) +:link(Tranchida4) +[(Tranchida)] Tranchida, Plimpton, Thibaudeau, and Thompson. diff --git a/doc/src/pair_spin_soc_dmi.txt b/doc/src/pair_spin_soc_dmi.txt index e669b7ccfdd5c189dec838b5018e42c4058a1dc0..acbd5148ad10960e4412969288a23ca5bdfd7ec1 100644 --- a/doc/src/pair_spin_soc_dmi.txt +++ b/doc/src/pair_spin_soc_dmi.txt @@ -49,7 +49,7 @@ the value of the DM interaction for the N neighbor shells taken into account. Examples and more explanations about this function and its parametrization are reported -in "(Tranchida)"_#Tranchida1. +in "(Tranchida)"_#Tranchida5. From this DM interaction, each spin i will be submitted to a magnetic torque omega and its associated atom to a force F (for spin-lattice calculations only), @@ -60,7 +60,7 @@ such as: with h the Planck constant (in metal units). More details about the derivation of these torques/forces are reported in -"(Tranchida)"_#Tranchida1. +"(Tranchida)"_#Tranchida5. :line @@ -80,6 +80,5 @@ See the "Making LAMMPS"_Section_start.html#start_3 section for more info. :line -:link(Tranchida1) -[(Tranchida)]https://arxiv.org/abs/1801.10233 - +:link(Tranchida5) +[(Tranchida)] Tranchida, Plimpton, Thibaudeau and Thompson. diff --git a/doc/src/pair_spin_soc_neel.txt b/doc/src/pair_spin_soc_neel.txt index 5f24234d0c7ba9f94cb676a9b7ee68a7ac18e4a6..ffe0fed3c2544ffaf7422275729f78caf5086480 100644 --- a/doc/src/pair_spin_soc_neel.txt +++ b/doc/src/pair_spin_soc_neel.txt @@ -49,7 +49,7 @@ the value of the DM interaction for the N neighbor shells taken into account. Examples and more explanations about this function and its parametrization are reported -in "(Tranchida)"_#Tranchida1. +in "(Tranchida)"_#Tranchida6. From this DM interaction, each spin i will be submitted to a magnetic torque omega and its associated atom to a force F (for spin-lattice calculations only), @@ -60,7 +60,7 @@ such as: with h the Planck constant (in metal units). More details about the derivation of these torques/forces are reported in -"(Tranchida)"_#Tranchida1. +"(Tranchida)"_#Tranchida6. :line @@ -80,6 +80,6 @@ See the "Making LAMMPS"_Section_start.html#start_3 section for more info. :line -:link(Tranchida1) -[(Tranchida)]https://arxiv.org/abs/1801.10233 +:link(Tranchida6) +[(Tranchida)] Tranchida, Plimpton, Thibaudeau and Thompson.