From ca31147d00e2e5d2772487e64be39891ea587c97 Mon Sep 17 00:00:00 2001 From: Steven Vandenbrande Date: Tue, 22 Jan 2019 14:58:38 +0100 Subject: [PATCH] Fix USER-YAFF documentation issues --- doc/src/Eqs/angle_cross.jpg | Bin 34385 -> 7977 bytes doc/src/Eqs/angle_mm3.jpg | Bin 37979 -> 9222 bytes doc/src/Eqs/bond_mm3.jpg | Bin 22904 -> 5814 bytes doc/src/Eqs/improper_distharm.jpg | Bin 8315 -> 2139 bytes doc/src/Eqs/improper_sqdistharm.jpg | Bin 8883 -> 2204 bytes doc/src/Eqs/pair_coulgauss.jpg | Bin 17006 -> 4642 bytes doc/src/Eqs/pair_lj_switch3.jpg | Bin 20362 -> 3660 bytes doc/src/Eqs/pair_mm3_switch3.jpg | Bin 41428 -> 11018 bytes doc/src/Eqs/pair_switch3.jpg | Bin 26047 -> 6753 bytes doc/src/bond_mm3.txt | 6 +++--- doc/src/lammps.book | 3 +++ doc/src/pair_lj_switch3_coulgauss.txt | 2 +- doc/utils/sphinx-config/false_positives.txt | 9 +++++++++ 13 files changed, 16 insertions(+), 4 deletions(-) diff --git a/doc/src/Eqs/angle_cross.jpg b/doc/src/Eqs/angle_cross.jpg index 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a/doc/src/bond_mm3.txt b/doc/src/bond_mm3.txt index bfc802036e..c3d0e39f52 100644 --- a/doc/src/bond_mm3.txt +++ b/doc/src/bond_mm3.txt @@ -26,7 +26,7 @@ as defined in "(Allinger)"_#mm3-allinger1989 where r0 is the equilibrium value of the bond, and K is a prefactor. The anharmonic prefactors have units angstrom^(-n): --2.55 angstrom^(-1) and (7/12)2.55$2 angstrom^(-2). The code takes +-2.55 angstrom^(-1) and (7/12)2.55^2 angstrom^(-2). The code takes care of the necessary unit conversion for these factors internally. Note that the MM3 papers contains an error in Eq (1): (7/12)2.55 should be replaced with (7/12)2.55^2 @@ -54,5 +54,5 @@ page for more info. :line :link(mm3-allinger1989) -[(Allinger)] Allinger, Yuh, Lii, JACS, 111,94, 8551-8566 -(1990), +[(Allinger)] Allinger, Yuh, Lii, JACS, 111(23), 8551-8566 +(1989), diff --git a/doc/src/lammps.book b/doc/src/lammps.book index 73b2723dc3..5ae3456ad4 100644 --- a/doc/src/lammps.book +++ b/doc/src/lammps.book @@ -596,6 +596,7 @@ pair_lj_long.html pair_lj_smooth.html pair_lj_smooth_linear.html pair_lj_soft.html +pair_lj_switch3_coulgauss.html pair_lubricate.html pair_lubricateU.html pair_mdf.html @@ -605,6 +606,7 @@ pair_meam_sw_spline.html pair_meso.html pair_mgpt.html pair_mie.html +pair_mm3_switch3_coulgauss.html pair_momb.html pair_morse.html pair_multi_lucy.html @@ -668,6 +670,7 @@ bond_harmonic_shift.html bond_harmonic_shift_cut.html bond_hybrid.html bond_morse.html +bond_mm3.html bond_none.html bond_nonlinear.html bond_oxdna.html diff --git a/doc/src/pair_lj_switch3_coulgauss.txt b/doc/src/pair_lj_switch3_coulgauss.txt index b13b78a744..1277cff9aa 100644 --- a/doc/src/pair_lj_switch3_coulgauss.txt +++ b/doc/src/pair_lj_switch3_coulgauss.txt @@ -30,7 +30,7 @@ pair_coeff 1 0.2 2.5 1.2 :pre [Description:] The {lj/switch3/coulgauss} style evaluates the LJ -vdW potentia +vdW potential :c,image(Eqs/pair_lj_switch3.jpg) diff --git a/doc/utils/sphinx-config/false_positives.txt b/doc/utils/sphinx-config/false_positives.txt index 5c44bf8afa..8807b2d680 100644 --- a/doc/utils/sphinx-config/false_positives.txt +++ b/doc/utils/sphinx-config/false_positives.txt @@ -60,6 +60,7 @@ Alejandre alessandro Alessandro aliceblue +Allinger allocaters allosws AlO @@ -410,6 +411,7 @@ cossq costheta Couette coul +coulgauss coulombic Coulombic Coulombics @@ -566,6 +568,7 @@ discretized disp dissipative Dissipative +distharm dl dlambda DLAMMPS @@ -2493,6 +2496,7 @@ Springer springgreen spx spz +sqdistharm sqrt src srd @@ -2801,6 +2805,8 @@ Valone valuev Valuev Vanden +Vandenbrande +Vanduyfhuys varavg Varshalovich Varshney @@ -2958,6 +2964,8 @@ xy xyz xz xzhou +YAFF +yaff Yamada Yazdani Ybar @@ -2976,6 +2984,7 @@ ys ysu yu Yu +Yuh yukawa Yukawa Yusof