From 98bd975e9055337ff0bdff29983d1d2db1394833 Mon Sep 17 00:00:00 2001 From: Richard Berger Date: Sat, 16 Nov 2019 18:53:01 -0500 Subject: [PATCH] Update docs: bond_class2 --- doc/src/Eqs/bond_class2.jpg | Bin 5142 -> 0 bytes doc/src/Eqs/bond_class2.tex | 9 ---- doc/src/bond_class2.rst | 39 ++++++++--------- doc/txt/bond_class2.txt | 81 ------------------------------------ 4 files changed, 18 insertions(+), 111 deletions(-) delete mode 100644 doc/src/Eqs/bond_class2.jpg delete mode 100644 doc/src/Eqs/bond_class2.tex delete mode 100644 doc/txt/bond_class2.txt diff --git a/doc/src/Eqs/bond_class2.jpg b/doc/src/Eqs/bond_class2.jpg deleted file mode 100644 index 493048100ed395ae9e2186151592ce0ff0f51288..0000000000000000000000000000000000000000 GIT binary patch literal 0 HcmV?d00001 literal 5142 zcmeI0X*kq<+sFTtJt4#hV;w15A^Tpoi6~{?VsxRgk7Xv$RPL5<Bjs#dUB8EYQt!`jvufRyjM< zrT22F00K8SQ!$k#uBQ;B@^+XN{!CR`C^nRRjic!0f6loS9;$%uvWN*wOER>|O?&gm z9Z5)|0=0ZL>KPEhP17nXWuj=WYf(ELQ{kzFs;|SY`#XQX>Et?f289j?H@1S-<6Qt6_;`SYu z(BVQ2A?~bC+L>^j{WbDyHNGe4tVvS6(x8UHQRAmKKxk+fQ05lb*lt|0ArG&x#S6J_a2W7g*9^IJFknY=`a@a7Ew$S^& zrh|{xO$>5*l*EQ#*to4%siaEEMBv!dVMaW>j>2>!V`SB1iH6CXsd6~C&L7LCPNydocRP2FzZiWi(bKV9AOcMq@ zO{*7+8*<{f(a+%P>a$0)UHR@PuATq3jok`Brt z{JdktW5;(~tdSH@#>tY+ek1=h3$EXz%Z8j`o;wi0Z+8k2{Z3mf_!R_n@^2D8-02D2 zG?KxTAnp1W1SsH_qR*&+60WK8uwFtj*i~Z9bl^)v&gb(fHsvONedgjF@<^;?3Wc$z z_Kf%n%8XHjILBV;wX6jkrz@d(_xv+Rc%q^g@dDRcS=YEG?9@>0*RGbiOafXCCp`2! 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See :ref:`(Sun) ` for a description of the COMPASS class2 force field. @@ -43,10 +45,10 @@ The following coefficients must be defined for each bond type via the the data file or restart files read by the :doc:`read\_data ` or :doc:`read\_restart ` commands: -* R0 (distance) -* K2 (energy/distance\^2) -* K3 (energy/distance\^3) -* K4 (energy/distance\^4) +* :math:`r_0` (distance) +* :math:`K_2` (energy/distance\^2) +* :math:`K_3` (energy/distance\^3) +* :math:`K_4` (energy/distance\^4) ---------- @@ -98,8 +100,3 @@ Related commands **(Sun)** Sun, J Phys Chem B 102, 7338-7364 (1998). - - -.. _lws: http://lammps.sandia.gov -.. _ld: Manual.html -.. _lc: Commands_all.html diff --git a/doc/txt/bond_class2.txt b/doc/txt/bond_class2.txt deleted file mode 100644 index 4390e3613c..0000000000 --- a/doc/txt/bond_class2.txt +++ /dev/null @@ -1,81 +0,0 @@ -"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c - -:link(lws,http://lammps.sandia.gov) -:link(ld,Manual.html) -:link(lc,Commands_all.html) - -:line - -bond_style class2 command :h3 -bond_style class2/omp command :h3 -bond_style class2/kk command :h3 - -[Syntax:] - -bond_style class2 :pre - -[Examples:] - -bond_style class2 -bond_coeff 1 1.0 100.0 80.0 80.0 :pre - -[Description:] - -The {class2} bond style uses the potential - -:c,image(Eqs/bond_class2.jpg) - -where r0 is the equilibrium bond distance. - -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 -the data file or restart files read by the "read_data"_read_data.html -or "read_restart"_read_restart.html commands: - -R0 (distance) -K2 (energy/distance^2) -K3 (energy/distance^3) -K4 (energy/distance^4) :ul - -: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 on the "Speed packages"_Speed_packages.html doc -page. 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 "Build -package"_Build_package.html doc page 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"_Run_options.html when you invoke LAMMPS, or you can use the -"suffix"_suffix.html command in your input script. - -See the "Speed packages"_Speed_packages.html doc page for more -instructions on how to use the accelerated styles effectively. - -:line - -[Restrictions:] - -This bond style can only be used if LAMMPS was built with the CLASS2 -package. See the "Build package"_Build_package.html doc page for more -info. - -[Related commands:] - -"bond_coeff"_bond_coeff.html, "delete_bonds"_delete_bonds.html - -[Default:] none - -:line - -:link(bond-Sun) -[(Sun)] Sun, J Phys Chem B 102, 7338-7364 (1998).