From df885d59ff661de8fdfa85508a45e7b2084908b9 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Tue, 10 May 2016 14:49:23 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14984 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/src/angle_charmm.txt | 4 ++-- doc/src/angle_class2.txt | 4 ++-- doc/src/angle_cosine_periodic.txt | 4 ++-- doc/src/bond_class2.txt | 4 ++-- doc/src/bond_fene_expand.txt | 4 ++-- doc/src/compute_saed.txt | 4 ++-- doc/src/dihedral_charmm.txt | 4 ++-- doc/src/dihedral_class2.txt | 4 ++-- doc/src/fix_lb_fluid.txt | 12 ++++++------ doc/src/fix_pimd.txt | 4 ++-- doc/src/improper_class2.txt | 4 ++-- doc/src/improper_umbrella.txt | 4 ++-- doc/src/pair_charmm.txt | 4 ++-- doc/src/pair_class2.txt | 4 ++-- doc/src/pair_hbond_dreiding.txt | 4 ++-- 15 files changed, 34 insertions(+), 34 deletions(-) diff --git a/doc/src/angle_charmm.txt b/doc/src/angle_charmm.txt index 5cc66e508e..5d734bada4 100644 --- a/doc/src/angle_charmm.txt +++ b/doc/src/angle_charmm.txt @@ -30,7 +30,7 @@ with an additional Urey_Bradley term based on the distance {r} between the 1st and 3rd atoms in the angle. K, theta0, Kub, and Rub are coefficients defined for each angle type. -See "(MacKerell)"_#MacKerell for a description of the CHARMM force +See "(MacKerell)"_#angle-MacKerell for a description of the CHARMM force field. The following coefficients must be defined for each angle type via the @@ -85,6 +85,6 @@ LAMMPS"_Section_start.html#start_3 section for more info on packages. :line -:link(MacKerell) +:link(angle-MacKerell) [(MacKerell)] MacKerell, Bashford, Bellott, Dunbrack, Evanseck, Field, Fischer, Gao, Guo, Ha, et al, J Phys Chem, 102, 3586 (1998). diff --git a/doc/src/angle_class2.txt b/doc/src/angle_class2.txt index 1bf4f05f5a..0bee802650 100644 --- a/doc/src/angle_class2.txt +++ b/doc/src/angle_class2.txt @@ -30,7 +30,7 @@ where Ea is the angle term, Ebb is a bond-bond term, and Eba is a bond-angle term. Theta0 is the equilibrium angle and r1 and r2 are the equilibrium bond lengths. -See "(Sun)"_#Sun for a description of the COMPASS class2 force field. +See "(Sun)"_#angle-Sun for a description of the COMPASS class2 force field. Coefficients for the Ea, Ebb, and Eba formulas must be defined for each angle type via the "angle_coeff"_angle_coeff.html command as in @@ -115,5 +115,5 @@ for more info on packages. :line -:link(Sun) +:link(angle-Sun) [(Sun)] Sun, J Phys Chem B 102, 7338-7364 (1998). diff --git a/doc/src/angle_cosine_periodic.txt b/doc/src/angle_cosine_periodic.txt index 16df251eef..7abc6beaf9 100644 --- a/doc/src/angle_cosine_periodic.txt +++ b/doc/src/angle_cosine_periodic.txt @@ -30,7 +30,7 @@ trigonal center: where C, B and n are coefficients defined for each angle type. -See "(Mayo)"_#Mayo for a description of the DREIDING force field +See "(Mayo)"_#cosine-Mayo for a description of the DREIDING force field The following coefficients must be defined for each angle type via the "angle_coeff"_angle_coeff.html command as in the example above, or in @@ -85,6 +85,6 @@ LAMMPS"_Section_start.html#start_3 section for more info on packages. :line -:link(Mayo) +:link(cosine-Mayo) [(Mayo)] Mayo, Olfason, Goddard III, J Phys Chem, 94, 8897-8909 (1990). diff --git a/doc/src/bond_class2.txt b/doc/src/bond_class2.txt index 198b88ba59..4784809f67 100644 --- a/doc/src/bond_class2.txt +++ b/doc/src/bond_class2.txt @@ -26,7 +26,7 @@ The {class2} bond style uses the potential where r0 is the equilibrium bond distance. -See "(Sun)"_#Sun for a description of the COMPASS class2 force field. +See "(Sun)"_#bond-Sun for a description of the COMPASS class2 force field. The following coefficients must be defined for each bond type via the "bond_coeff"_bond_coeff.html command as in the example above, or in @@ -77,5 +77,5 @@ for more info on packages. :line -:link(Sun) +:link(bond-Sun) [(Sun)] Sun, J Phys Chem B 102, 7338-7364 (1998). diff --git a/doc/src/bond_fene_expand.txt b/doc/src/bond_fene_expand.txt index 8d6a0f97b2..5025304ce5 100644 --- a/doc/src/bond_fene_expand.txt +++ b/doc/src/bond_fene_expand.txt @@ -25,7 +25,7 @@ The {fene/expand} bond style uses the potential :c,image(Eqs/bond_fene_expand.jpg) to define a finite extensible nonlinear elastic (FENE) potential -"(Kremer)"_#Kremer, used for bead-spring polymer models. The first +"(Kremer)"_#feneexpand-Kremer, used for bead-spring polymer models. The first term is attractive, the 2nd Lennard-Jones term is repulsive. The {fene/expand} bond style is similar to {fene} except that an extra @@ -88,5 +88,5 @@ style. LAMMPS will issue a warning it that's not the case. :line -:link(Kremer) +:link(feneexpand-Kremer) [(Kremer)] Kremer, Grest, J Chem Phys, 92, 5057 (1990). diff --git a/doc/src/compute_saed.txt b/doc/src/compute_saed.txt index 45b7df3f31..11be0177dc 100644 --- a/doc/src/compute_saed.txt +++ b/doc/src/compute_saed.txt @@ -45,7 +45,7 @@ fix saed/vtk 1 1 1 c_2 file Ni_000.saed :pre [Description:] Define a computation that calculates electron diffraction intensity as -described in "(Coleman)"_#Coleman on a mesh of reciprocal lattice nodes +described in "(Coleman)"_#saed-Coleman on a mesh of reciprocal lattice nodes defined by the entire simulation domain (or manually) using simulated radiation of wavelength lambda. @@ -169,7 +169,7 @@ The option defaults are Kmax = 1.70, Zone 1 0 0, c 1 1 1, dR_Ewald = :line -:link(Coleman) +:link(saed-Coleman) [(Coleman)] Coleman, Spearot, Capolungo, MSMSE, 21, 055020 (2013). diff --git a/doc/src/dihedral_charmm.txt b/doc/src/dihedral_charmm.txt index 5024a74e99..581dfd1df2 100644 --- a/doc/src/dihedral_charmm.txt +++ b/doc/src/dihedral_charmm.txt @@ -26,7 +26,7 @@ The {charmm} dihedral style uses the potential :c,image(Eqs/dihedral_charmm.jpg) -See "(MacKerell)"_#MacKerell for a description of the CHARMM force +See "(MacKerell)"_#dihedral-MacKerell for a description of the CHARMM force field. This dihedral style can also be used for the AMBER force field (see comment on weighting factors below). See "(Cornell)"_#Cornell for a description of the AMBER force field. @@ -110,6 +110,6 @@ LAMMPS"_Section_start.html#start_3 section for more info on packages. [(Cornell)] Cornell, Cieplak, Bayly, Gould, Merz, Ferguson, Spellmeyer, Fox, Caldwell, Kollman, JACS 117, 5179-5197 (1995). -:link(MacKerell) +:link(dihedral-MacKerell) [(MacKerell)] MacKerell, Bashford, Bellott, Dunbrack, Evanseck, Field, Fischer, Gao, Guo, Ha, et al, J Phys Chem B, 102, 3586 (1998). diff --git a/doc/src/dihedral_class2.txt b/doc/src/dihedral_class2.txt index 2d9381006e..6f91881126 100644 --- a/doc/src/dihedral_class2.txt +++ b/doc/src/dihedral_class2.txt @@ -36,7 +36,7 @@ is an angle-angle-torsion term, and Ebb13 is a bond-bond-13 term. Theta1 and theta2 are equilibrium angles and r1 r2 r3 are equilibrium bond lengths. -See "(Sun)"_#Sun for a description of the COMPASS class2 force field. +See "(Sun)"_#dihedral-Sun for a description of the COMPASS class2 force field. Coefficients for the Ed, Embt, Eebt, Eat, Eaat, and Ebb13 formulas must be defined for each dihedral type via the @@ -174,5 +174,5 @@ section for more info on packages. :line -:link(Sun) +:link(dihedral-Sun) [(Sun)] Sun, J Phys Chem B 102, 7338-7364 (1998). diff --git a/doc/src/fix_lb_fluid.txt b/doc/src/fix_lb_fluid.txt index ebd26a3b76..968762ff18 100755 --- a/doc/src/fix_lb_fluid.txt +++ b/doc/src/fix_lb_fluid.txt @@ -100,7 +100,7 @@ functions, :c,image(Eqs/fix_lb_fluid_properties.jpg) Full details of the lattice-Boltzmann algorithm used can be found in -"Mackay et al."_#Mackay. +"Mackay et al."_#fluid-Mackay. The fluid is coupled to the MD particles described by {group-ID} through a velocity dependent force. The contribution to the fluid @@ -140,7 +140,7 @@ using the {setArea} keyword. The user also has the option of specifying their own value for the force coupling constant, for all the MD particles associated with the fix, through the use of the {setGamma} keyword. This may be useful -when modelling porous particles. See "Mackay et al."_#Mackay for a +when modelling porous particles. See "Mackay et al."_#fluid-Mackay for a detailed description of the method by which the user can choose an appropriate gamma value. @@ -153,7 +153,7 @@ This fix adds the hydrodynamic force to the total force acting on the particles, after which any of the built-in LAMMPS integrators can be used to integrate the particle motion. However, if the user specifies their own value for the force coupling constant, as mentioned in -"Mackay et al."_#Mackay, the built-in LAMMPS integrators may prove to +"Mackay et al."_#fluid-Mackay, the built-in LAMMPS integrators may prove to be unstable. Therefore, we have included our own integrators "fix lb/rigid/pc/sphere"_fix_lb_rigid_pc_sphere.html, and "fix lb/pc"_fix_lb_pc.html, to solve for the particle motion in these @@ -248,7 +248,7 @@ N timesteps. If the keyword {trilinear} is used, the trilinear stencil is used to interpolate the particle nodes onto the fluid mesh. By default, the immersed boundary method, Peskin stencil is used. Both of these -interpolation methods are described in "Mackay et al."_#Mackay. +interpolation methods are described in "Mackay et al."_#Mfluid-ackay. If the keyword {D3Q19} is used, the 19 velocity (D3Q19) lattice is used by the lattice-Boltzmann algorithm. By default, the 15 velocity @@ -284,7 +284,7 @@ screen every N timesteps. :line For further details, as well as descriptions and results of several -test runs, see "Mackay et al."_#Mackay. Please include a citation to +test runs, see "Mackay et al."_#fluid-Mackay. Please include a citation to this paper if the lb_fluid fix is used in work contributing to published research. @@ -360,7 +360,7 @@ If walls are present, they are assumed to be stationary. :link(Ollila) [(Ollila et al.)] Ollila, S.T.T., Denniston, C., Karttunen, M., and Ala-Nissila, T., Fluctuating lattice-Boltzmann model for complex fluids, J. Chem. Phys. 134 (2011) 064902. -:link(Mackay) +:link(fluid-Mackay) [(Mackay et al.)] Mackay, F. E., Ollila, S.T.T., and Denniston, C., Hydrodynamic Forces Implemented into LAMMPS through a lattice-Boltzmann fluid, Computer Physics Communications 184 (2013) 2021-2031. :link(Mackay2) diff --git a/doc/src/fix_pimd.txt b/doc/src/fix_pimd.txt index 4763fb25a3..c9e882bcb8 100644 --- a/doc/src/fix_pimd.txt +++ b/doc/src/fix_pimd.txt @@ -49,7 +49,7 @@ index (the second term in the effective potential above). The quasi-beads also interact with the two neighboring quasi-beads through the spring potential in imaginary-time space (first term in effective potential). To sample the canonical ensemble, a Nose-Hoover massive -chain thermostat is applied "(Tuckerman)"_#Tuckerman. With the +chain thermostat is applied "(Tuckerman)"_#pimd-Tuckerman. With the massive chain algorithm, a chain of NH thermostats is coupled to each degree of freedom for each quasi-bead. The keyword {temp} sets the target temperature for the system and the keyword {nhc} sets the @@ -161,7 +161,7 @@ and nhc = 2. [(Feynman)] R. Feynman and A. Hibbs, Chapter 7, Quantum Mechanics and Path Integrals, McGraw-Hill, New York (1965). -:link(Tuckerman) +:link(pimd-Tuckerman) [(Tuckerman)] M. Tuckerman and B. Berne, J Chem Phys, 99, 2796 (1993). :link(Cao1) diff --git a/doc/src/improper_class2.txt b/doc/src/improper_class2.txt index 19063e8875..890e15f04a 100644 --- a/doc/src/improper_class2.txt +++ b/doc/src/improper_class2.txt @@ -47,7 +47,7 @@ Since atom J is the atom of symmetry, normally the bonds J-I, J-K, J-L would exist for an improper to be defined between the 4 atoms, but this is not required. -See "(Sun)"_#Sun for a description of the COMPASS class2 force field. +See "(Sun)"_#improper-Sun for a description of the COMPASS class2 force field. Coefficients for the Ei and Eaa formulas must be defined for each improper type via the "improper_coeff"_improper_coeff.html command as @@ -120,5 +120,5 @@ section for more info on packages. :line -:link(Sun) +:link(improper-Sun) [(Sun)] Sun, J Phys Chem B 102, 7338-7364 (1998). diff --git a/doc/src/improper_umbrella.txt b/doc/src/improper_umbrella.txt index 2bbfd97519..f54c24482a 100644 --- a/doc/src/improper_umbrella.txt +++ b/doc/src/improper_umbrella.txt @@ -35,7 +35,7 @@ If omega0 = 0 the potential term has a minimum for the planar structure. Otherwise it has two minima at +/- omega0, with a barrier in between. -See "(Mayo)"_#Mayo for a description of the DREIDING force field. +See "(Mayo)"_#umbrella-Mayo for a description of the DREIDING force field. The following coefficients must be defined for each improper type via the "improper_coeff"_improper_coeff.html command as in the example @@ -85,6 +85,6 @@ LAMMPS"_Section_start.html#start_3 section for more info on packages. :line -:link(Mayo) +:link(umbrella-Mayo) [(Mayo)] Mayo, Olfason, Goddard III, J Phys Chem, 94, 8897-8909 (1990), diff --git a/doc/src/pair_charmm.txt b/doc/src/pair_charmm.txt index d07681edc3..3c0cc94bcc 100644 --- a/doc/src/pair_charmm.txt +++ b/doc/src/pair_charmm.txt @@ -68,7 +68,7 @@ The {lj/charmm} styles compute LJ and Coulombic interactions with an additional switching function S(r) that ramps the energy and force smoothly to zero between an inner and outer cutoff. It is a widely used potential in the "CHARMM"_http://www.scripps.edu/brooks MD code. -See "(MacKerell)"_#MacKerell for a description of the CHARMM force +See "(MacKerell)"_#pair-MacKerell for a description of the CHARMM force field. :c,image(Eqs/pair_charmm.jpg) @@ -194,6 +194,6 @@ the MOLECULE and KSPACE packages are installed by default. :line -:link(MacKerell) +:link(pair-MacKerell) [(MacKerell)] MacKerell, Bashford, Bellott, Dunbrack, Evanseck, Field, Fischer, Gao, Guo, Ha, et al, J Phys Chem, 102, 3586 (1998). diff --git a/doc/src/pair_class2.txt b/doc/src/pair_class2.txt index 66ba2b7f30..457d34f658 100644 --- a/doc/src/pair_class2.txt +++ b/doc/src/pair_class2.txt @@ -64,7 +64,7 @@ Rc is the cutoff. The {lj/class2/coul/cut} and {lj/class2/coul/long} styles add a Coulombic term as described for the "lj/cut"_pair_lj.html pair styles. -See "(Sun)"_#Sun for a description of the COMPASS class2 force field. +See "(Sun)"_#pair-Sun for a description of the COMPASS class2 force field. The following coefficients must be defined for each pair of atoms types via the "pair_coeff"_pair_coeff.html command as in the examples @@ -169,5 +169,5 @@ LAMMPS"_Section_start.html#start_3 section for more info. :line -:link(Sun) +:link(pair-Sun) [(Sun)] Sun, J Phys Chem B 102, 7338-7364 (1998). diff --git a/doc/src/pair_hbond_dreiding.txt b/doc/src/pair_hbond_dreiding.txt index e7395aeba3..f14d68d36e 100644 --- a/doc/src/pair_hbond_dreiding.txt +++ b/doc/src/pair_hbond_dreiding.txt @@ -57,7 +57,7 @@ hydrogen atoms for each donor/acceptor type pair are specified by the "pair_coeff"_pair_coeff.html command (see below). Style {hbond/dreiding/lj} is the original DREIDING potential of -"(Mayo)"_#Mayo. It uses a LJ 12/10 functional for the Donor-Acceptor +"(Mayo)"_#pair-Mayo. It uses a LJ 12/10 functional for the Donor-Acceptor interactions. To match the results in the original paper, use n = 4. Style {hbond/dreiding/morse} is an improved version using a Morse @@ -234,7 +234,7 @@ thermo_style custom step temp epair v_E_hbond :pre :line -:link(Mayo) +:link(pair-Mayo) [(Mayo)] Mayo, Olfason, Goddard III, J Phys Chem, 94, 8897-8909 (1990).