Merge pull request #1297 from stevenvdb/add-user-yaff (985913bc) · Commits · 郑智淋 / lammps

cmake/CMakeLists.txt

+1 −1

Original line number	Diff line number	Diff line
		@@ -178,7 +178,7 @@ set(DEFAULT_PACKAGES ASPHERE BODY CLASS2 COLLOID COMPRESS DIPOLE GRANULAR
		USER-MEAMC USER-MGPT USER-MISC USER-MOFFF USER-MOLFILE USER-NETCDF
		USER-PHONON USER-PLUMED USER-PTM USER-QTB USER-REAXC USER-SCAFACOS
		USER-SDPD USER-SMD USER-SMTBQ USER-SPH USER-TALLY USER-UEF USER-VTK
		USER-QUIP USER-QMMM)
		USER-QUIP USER-QMMM USER-YAFF)
		set(ACCEL_PACKAGES USER-OMP KOKKOS OPT USER-INTEL GPU)
		set(OTHER_PACKAGES CORESHELL QEQ)
		foreach(PKG ${DEFAULT_PACKAGES})

+5 −0

Original line number	Diff line number	Diff line
		@@ -37,6 +37,7 @@ OPT.
		"harmonic (iko)"_bond_harmonic.html,
		"harmonic/shift (o)"_bond_harmonic_shift.html,
		"harmonic/shift/cut (o)"_bond_harmonic_shift_cut.html,
		"mm3"_bond_mm3.html,
		"morse (o)"_bond_morse.html,
		"nonlinear (o)"_bond_nonlinear.html,
		"oxdna/fene"_bond_oxdna.html,
		@@ -67,10 +68,12 @@ OPT.
		"cosine/shift (o)"_angle_cosine_shift.html,
		"cosine/shift/exp (o)"_angle_cosine_shift_exp.html,
		"cosine/squared (o)"_angle_cosine_squared.html,
		"cross"_angle_cross.html,
		"dipole (o)"_angle_dipole.html,
		"fourier (o)"_angle_fourier.html,
		"fourier/simple (o)"_angle_fourier_simple.html,
		"harmonic (iko)"_angle_harmonic.html,
		"mm3"_angle_mm3.html,
		"quartic (o)"_angle_quartic.html,
		"sdk (o)"_angle_sdk.html,
		"table (o)"_angle_table.html :tb(c=4,ea=c)
		@@ -120,8 +123,10 @@ OPT.
		"cossq (o)"_improper_cossq.html,
		"cvff (io)"_improper_cvff.html,
		"distance"_improper_distance.html,
		"distharm"_improper_distharm.html,
		"fourier (o)"_improper_fourier.html,
		"harmonic (iko)"_improper_harmonic.html,
		"inversion/harmonic"_improper_inversion_harmonic.html,
		"ring (o)"_improper_ring.html,
		"sqdistharm"_improper_sqdistharm.html,
		"umbrella (o)"_improper_umbrella.html :tb(c=4,ea=c)

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Original line number	Diff line number	Diff line
		@@ -154,6 +154,7 @@ OPT.
		"lj/sf/dipole/sf (go)"_pair_dipole.html,
		"lj/smooth (o)"_pair_lj_smooth.html,
		"lj/smooth/linear (o)"_pair_lj_smooth_linear.html,
		"lj/switch3/coulgauss/long"_pair_lj_switch3_coulgauss.html,
		"lj96/cut (go)"_pair_lj96.html,
		"lubricate (o)"_pair_lubricate.html,
		"lubricate/poly (o)"_pair_lubricate.html,

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		\documentclass[12pt]{article}

		\begin{document}
		\thispagestyle{empty}
		$$
		E = K_{SS} \left(r_{12}-r_{12,0}\right)\left(r_{32}-r_{32,0}\right) + K_{BS0}\left(r_{12}-r_{12,0}\right)\left(\theta-\theta_0\right) + K_{BS1}\left(r_{32}-r_{32,0}\right)\left(\theta-\theta_0\right)
		$$

		\end{document}