diff --git a/doc/src/Section_commands.txt b/doc/src/Section_commands.txt index cdbdec9ee3ef6e7a8d13cbb28b53d9d41034c487..b692e44b9fae72aaf2f45c2074838fbd68561071 100644 --- a/doc/src/Section_commands.txt +++ b/doc/src/Section_commands.txt @@ -1212,7 +1212,8 @@ package"_Section_start.html#start_3. "nharmonic (o)"_dihedral_nharmonic.html, "quadratic (o)"_dihedral_quadratic.html, "spherical (o)"_dihedral_spherical.html, -"table (o)"_dihedral_table.html :tb(c=4,ea=c) +"table (o)"_dihedral_table.html +"table/cut"_dihedral_table_cut.html :tb(c=4,ea=c) :line diff --git a/doc/src/dihedral_table_cut.txt b/doc/src/dihedral_table_cut.txt index 3c220eee9b6018f8bb302836437040c05bd9bf93..c85a79443459c336576bf493027149eda9103ddc 100644 --- a/doc/src/dihedral_table_cut.txt +++ b/doc/src/dihedral_table_cut.txt @@ -7,7 +7,6 @@ :line dihedral_style table/cut command :h3 -dihedral_style table/cut/omp command :h3 [Syntax:] @@ -61,9 +60,8 @@ filename keyword :ul The cutoff dihedral style uses a tabulated dihedral interaction with a -cutoff function +cutoff function (TODO: add image of formula here) -:c,image(Eqs/dihedral_table_cut.jpg) The cutoff specifies an prefactor to the cutoff function. While this value would ordinarily equal 1 there may be situations where the value should change. @@ -190,41 +188,17 @@ Note that one file can contain many sections, each with a tabulated potential. LAMMPS reads the file section by section until it finds one that matches the specified keyword. -:line - -Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are -functionally the same as the corresponding style without the suffix. -They have been optimized to run faster, depending on your available -hardware, as discussed in "Section_accelerate"_Section_accelerate.html -of the manual. The accelerated styles take the same arguments and -should produce the same results, except for round-off and precision -issues. - -These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, -USER-OMP and OPT packages, respectively. They are only enabled if -LAMMPS was built with those packages. See the "Making -LAMMPS"_Section_start.html#start_3 section for more info. - -You can specify the accelerated styles explicitly in your input script -by including their suffix, or you can use the "-suffix command-line -switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can -use the "suffix"_suffix.html command in your input script. - -See "Section_accelerate"_Section_accelerate.html of the manual for -more instructions on how to use the accelerated styles effectively. - [Restrictions:] This dihedral style can only be used if LAMMPS was built with the -USER-MISC package. See the "Making LAMMPS"_Section_start.html#2_3 +USER-MISC package. See the "Making LAMMPS"_Section_start.html#start_3 section for more info on packages. [Related commands:] -"dihedral_coeff"_dihedral_coeff.html +"dihedral_coeff"_dihedral_coeff.html, "dihedral_style table"_dihedral_table.html [Default:] none -:line :link(dihedralcut-Salerno) [(Salerno)] Salerno, Bernstein, J Chem Theory Comput, --, ---- (2018). diff --git a/doc/src/dihedrals.txt b/doc/src/dihedrals.txt index 500a6a52bf69b7beb641c414f6dee354d6ca6b7b..a862bf50a0a9c357ffeed1129e3b67423259447c 100644 --- a/doc/src/dihedrals.txt +++ b/doc/src/dihedrals.txt @@ -19,6 +19,7 @@ Dihedral Styles :h1 dihedral_quadratic dihedral_spherical dihedral_table + dihedral_table_cut dihedral_zero dihedral_charmm dihedral_class2 diff --git a/doc/src/lammps.book b/doc/src/lammps.book index 1f4bf157f4829df2446970b8c9550f7098b765f8..0764c593f7e56cc251588d800a53d06a11e232b4 100644 --- a/doc/src/lammps.book +++ b/doc/src/lammps.book @@ -582,6 +582,7 @@ dihedral_opls.html dihedral_quadratic.html dihedral_spherical.html dihedral_table.html +dihedral_table_cut.html dihedral_zero.html lammps_commands_improper.html