Merge branch 'master' into kokkos_update (cc6104ae) · Commits · 郑智淋 / lammps

doc/src/Manual.txt

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		<!-- HTML_ONLY -->
		<HEAD>
		<TITLE>LAMMPS Users Manual</TITLE>
		<META NAME="docnumber" CONTENT="24 Mar 2017 version">
		<META NAME="docnumber" CONTENT="13 Apr 2017 version">
		<META NAME="author" CONTENT="http://lammps.sandia.gov - Sandia National Laboratories">
		<META NAME="copyright" CONTENT="Copyright (2003) Sandia Corporation. This software and manual is distributed under the GNU General Public License.">
		</HEAD>
		@@ -21,7 +21,7 @@
		<H1></H1>

		LAMMPS Documentation :c,h3
		24 Mar 2017 version :c,h4
		13 Apr 2017 version :c,h4

		Version info: :h4

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		@@ -1047,6 +1047,10 @@ package"_Section_start.html#start_3.
		"oxdna/hbond"_pair_oxdna.html,
		"oxdna/stk"_pair_oxdna.html,
		"oxdna/xstk"_pair_oxdna.html,
		"oxdna2/coaxstk"_pair_oxdna2.html,
		"oxdna2/dh"_pair_oxdna2.html,
		"oxdna2/excv"_pair_oxdna2.html,
		"oxdna2/stk"_pair_oxdna2.html,
		"quip"_pair_quip.html,
		"reax/c (k)"_pair_reax_c.html,
		"smd/hertz"_pair_smd_hertz.html,
		@@ -1096,7 +1100,8 @@ package"_Section_start.html#start_3.

		"harmonic/shift (o)"_bond_harmonic_shift.html,
		"harmonic/shift/cut (o)"_bond_harmonic_shift_cut.html,
		"oxdna/fene"_bond_oxdna.html :tb(c=4,ea=c)
		"oxdna/fene"_bond_oxdna.html,
		"oxdna2/fene"_bond_oxdna.html :tb(c=4,ea=c)

		:line

		@@ -1150,7 +1155,7 @@ USER-OMP, t = OPT.
		"zero"_dihedral_zero.html,
		"hybrid"_dihedral_hybrid.html,
		"charmm (ko)"_dihedral_charmm.html,
		"charmmfsh"_dihedral_charmm.html,
		"charmmfsw"_dihedral_charmm.html,
		"class2 (ko)"_dihedral_class2.html,
		"harmonic (io)"_dihedral_harmonic.html,
		"helix (o)"_dihedral_helix.html,

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		@@ -215,7 +215,7 @@ documentation for the formula it computes.
		"special_bonds"_special_bonds.html charmm
		"special_bonds"_special_bonds.html amber :ul

		NOTE: For CHARMM, the newer {charmmfsw} or {charmmfsh} styles were
		NOTE: For CHARMM, newer {charmmfsw} or {charmmfsh} styles were
		released in March 2017. We recommend they be used instead of the
		older {charmm} styles. See discussion of the differences on the "pair
		charmm"_pair_charmm.html and "dihedral charmm"_dihedral_charmm.html
		@@ -1686,7 +1686,7 @@ nph) and Berendsen:
		The "fix npt"_fix_nh.html commands include a Nose-Hoover thermostat
		and barostat. "Fix nph"_fix_nh.html is just a Nose/Hoover barostat;
		it does no thermostatting. Both "fix nph"_fix_nh.html and "fix
		press/bernendsen"_fix_press_berendsen.html can be used in conjunction
		press/berendsen"_fix_press_berendsen.html can be used in conjunction
		with any of the thermostatting fixes.

		As with the thermostats, "fix npt"_fix_nh.html and "fix

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		@@ -1308,8 +1308,8 @@ oxdna/..."_pair_oxdna.html, "pair_style
		oxdna2/..."_pair_oxdna2.html, "fix
		nve/dotc/langevin"_fix_nve_dotc_langevin.html

		Author: Oliver Henrich at the University of Strathclyde, Glasgow, UK and
		University of Edinburgh (ohenrich@ph.ed.ac.uk).
		Author: Oliver Henrich at the University of Strathclyde, Glasgow
		(oliver.henrich at strath.ac.uk, also ohenrich at ph.ed.ac.uk).
		Contact him directly if you have any questions.

		:line

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		@@ -455,8 +455,7 @@ and related PPPM operations are somewhat insensitive to floating point
		truncation errors and thus do not always need to be performed in
		double precision. Using the -DFFT_SINGLE setting trades off a little
		accuracy for reduced memory use and parallel communication costs for
		transposing 3d FFT data. Note that single precision FFTs have only
		been tested with the FFTW3, FFTW2, MKL, and KISS FFT options.
		transposing 3d FFT data.

		Step 7 :h6