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Commit ca31147d authored by Steven Vandenbrande's avatar Steven Vandenbrande
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Fix USER-YAFF documentation issues

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...@@ -26,7 +26,7 @@ as defined in "(Allinger)"_#mm3-allinger1989 ...@@ -26,7 +26,7 @@ as defined in "(Allinger)"_#mm3-allinger1989
where r0 is the equilibrium value of the bond, and K is a where r0 is the equilibrium value of the bond, and K is a
prefactor. The anharmonic prefactors have units angstrom^(-n): 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. care of the necessary unit conversion for these factors internally.
Note that the MM3 papers contains an error in Eq (1): Note that the MM3 papers contains an error in Eq (1):
(7/12)2.55 should be replaced with (7/12)2.55^2 (7/12)2.55 should be replaced with (7/12)2.55^2
...@@ -54,5 +54,5 @@ page for more info. ...@@ -54,5 +54,5 @@ page for more info.
:line :line
:link(mm3-allinger1989) :link(mm3-allinger1989)
[(Allinger)] Allinger, Yuh, Lii, JACS, 111,94, 8551-8566 [(Allinger)] Allinger, Yuh, Lii, JACS, 111(23), 8551-8566
(1990), (1989),
...@@ -596,6 +596,7 @@ pair_lj_long.html ...@@ -596,6 +596,7 @@ pair_lj_long.html
pair_lj_smooth.html pair_lj_smooth.html
pair_lj_smooth_linear.html pair_lj_smooth_linear.html
pair_lj_soft.html pair_lj_soft.html
pair_lj_switch3_coulgauss.html
pair_lubricate.html pair_lubricate.html
pair_lubricateU.html pair_lubricateU.html
pair_mdf.html pair_mdf.html
...@@ -605,6 +606,7 @@ pair_meam_sw_spline.html ...@@ -605,6 +606,7 @@ pair_meam_sw_spline.html
pair_meso.html pair_meso.html
pair_mgpt.html pair_mgpt.html
pair_mie.html pair_mie.html
pair_mm3_switch3_coulgauss.html
pair_momb.html pair_momb.html
pair_morse.html pair_morse.html
pair_multi_lucy.html pair_multi_lucy.html
...@@ -668,6 +670,7 @@ bond_harmonic_shift.html ...@@ -668,6 +670,7 @@ bond_harmonic_shift.html
bond_harmonic_shift_cut.html bond_harmonic_shift_cut.html
bond_hybrid.html bond_hybrid.html
bond_morse.html bond_morse.html
bond_mm3.html
bond_none.html bond_none.html
bond_nonlinear.html bond_nonlinear.html
bond_oxdna.html bond_oxdna.html
......
...@@ -30,7 +30,7 @@ pair_coeff 1 0.2 2.5 1.2 :pre ...@@ -30,7 +30,7 @@ pair_coeff 1 0.2 2.5 1.2 :pre
[Description:] [Description:]
The {lj/switch3/coulgauss} style evaluates the LJ The {lj/switch3/coulgauss} style evaluates the LJ
vdW potentia vdW potential
:c,image(Eqs/pair_lj_switch3.jpg) :c,image(Eqs/pair_lj_switch3.jpg)
......
...@@ -60,6 +60,7 @@ Alejandre ...@@ -60,6 +60,7 @@ Alejandre
alessandro alessandro
Alessandro Alessandro
aliceblue aliceblue
Allinger
allocaters allocaters
allosws allosws
AlO AlO
...@@ -410,6 +411,7 @@ cossq ...@@ -410,6 +411,7 @@ cossq
costheta costheta
Couette Couette
coul coul
coulgauss
coulombic coulombic
Coulombic Coulombic
Coulombics Coulombics
...@@ -566,6 +568,7 @@ discretized ...@@ -566,6 +568,7 @@ discretized
disp disp
dissipative dissipative
Dissipative Dissipative
distharm
dl dl
dlambda dlambda
DLAMMPS DLAMMPS
...@@ -2493,6 +2496,7 @@ Springer ...@@ -2493,6 +2496,7 @@ Springer
springgreen springgreen
spx spx
spz spz
sqdistharm
sqrt sqrt
src src
srd srd
...@@ -2801,6 +2805,8 @@ Valone ...@@ -2801,6 +2805,8 @@ Valone
valuev valuev
Valuev Valuev
Vanden Vanden
Vandenbrande
Vanduyfhuys
varavg varavg
Varshalovich Varshalovich
Varshney Varshney
...@@ -2958,6 +2964,8 @@ xy ...@@ -2958,6 +2964,8 @@ xy
xyz xyz
xz xz
xzhou xzhou
YAFF
yaff
Yamada Yamada
Yazdani Yazdani
Ybar Ybar
...@@ -2976,6 +2984,7 @@ ys ...@@ -2976,6 +2984,7 @@ ys
ysu ysu
yu yu
Yu Yu
Yuh
yukawa yukawa
Yukawa Yukawa
Yusof Yusof
......
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