(b63b44e2) · Commits · 郑智淋 / lammps · GitLab

doc/Manual.html

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	@@ -157,6 +157,8 @@ listed above.
	4.17 <A HREF = "Section_howto.html#4_17">Walls</A>		4.17 <A HREF = "Section_howto.html#4_17">Walls</A>
	<BR>		<BR>
	4.18 <A HREF = "Section_howto.html#4_18">Elastic constants</A>		4.18 <A HREF = "Section_howto.html#4_18">Elastic constants</A>
			<BR>
			4.19 <A HREF = "Section_howto.html#4_19">Library interface to LAMMPS</A>
	<BR></UL>		<BR></UL>
	<LI><A HREF = "Section_example.html">Example problems</A>		<LI><A HREF = "Section_example.html">Example problems</A>

	@@ -166,19 +168,35 @@ listed above.

	<LI><A HREF = "Section_modify.html">Modifying & Extending LAMMPS</A>		<LI><A HREF = "Section_modify.html">Modifying & Extending LAMMPS</A>

			<LI><A HREF = "Section_python.html">Python interface</A>

			<UL> 9.1 <A HREF = "Section_python.html#9_1">Extending Python with a serial version of LAMMPS</A>
			<BR>
			9.2 <A HREF = "Section_python.html#9_2">Creating a shared MPI library</A>
			<BR>
			9.3 <A HREF = "Section_python.html#9_3">Extending Python with a parallel version of LAMMPS</A>
			<BR>
			9.4 <A HREF = "Section_python.html#9_4">Extending Python with MPI</A>
			<BR>
			9.5 <A HREF = "Section_python.html#9_5">Testing the Python-LAMMPS interface</A>
			<BR>
			9.6 <A HREF = "Section_python.html#9_6">Using LAMMPS from Python</A>
			<BR>
			9.7 <A HREF = "Section_python.html#9_7">Example Python scripts that use LAMMPS</A>
			<BR></UL>
	<LI><A HREF = "Section_errors.html">Errors</A>		<LI><A HREF = "Section_errors.html">Errors</A>

	<UL> 9.1 <A HREF = "Section_errors.html#9_1">Common problems</A>		<UL> 10.1 <A HREF = "Section_errors.html#10_1">Common problems</A>
	<BR>		<BR>
	9.2 <A HREF = "Section_errors.html#9_2">Reporting bugs</A>		10.2 <A HREF = "Section_errors.html#10_2">Reporting bugs</A>
	<BR>		<BR>
	9.3 <A HREF = "Section_errors.html#9_3">Error & warning messages</A>		10.3 <A HREF = "Section_errors.html#10_3">Error & warning messages</A>
	<BR></UL>		<BR></UL>
	<LI><A HREF = "Section_history.html">Future and history</A>		<LI><A HREF = "Section_history.html">Future and history</A>

	<UL> 10.1 <A HREF = "Section_history.html#10_1">Coming attractions</A>		<UL> 11.1 <A HREF = "Section_history.html#11_1">Coming attractions</A>
	<BR>		<BR>
	10.2 <A HREF = "Section_history.html#10_2">Past versions</A>		11.2 <A HREF = "Section_history.html#11_2">Past versions</A>
	<BR></UL>		<BR></UL>

	</OL>		</OL>
	@@ -249,6 +267,22 @@ listed above.

doc/Manual.txt

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	@@ -112,18 +112,27 @@ listed above.
	4.15 "Output from LAMMPS (thermo, dumps, computes, fixes, variables)"_4_15 :b		4.15 "Output from LAMMPS (thermo, dumps, computes, fixes, variables)"_4_15 :b
	4.16 "Thermostatting, barostatting, and compute temperature"_4_16 :b		4.16 "Thermostatting, barostatting, and compute temperature"_4_16 :b
	4.17 "Walls"_4_17 :b		4.17 "Walls"_4_17 :b
	4.18 "Elastic constants"_4_18 :ule,b		4.18 "Elastic constants"_4_18 :b
			4.19 "Library interface to LAMMPS"_4_19 :ule,b
	"Example problems"_Section_example.html :l		"Example problems"_Section_example.html :l
	"Performance & scalability"_Section_perf.html :l		"Performance & scalability"_Section_perf.html :l
	"Additional tools"_Section_tools.html :l		"Additional tools"_Section_tools.html :l
	"Modifying & Extending LAMMPS"_Section_modify.html :l		"Modifying & Extending LAMMPS"_Section_modify.html :l
			"Python interface"_Section_python.html :l
			9.1 "Extending Python with a serial version of LAMMPS"_9_1 :ulb,b
			9.2 "Creating a shared MPI library"_9_2 :b
			9.3 "Extending Python with a parallel version of LAMMPS"_9_3 :b
			9.4 "Extending Python with MPI"_9_4 :b
			9.5 "Testing the Python-LAMMPS interface"_9_5 :b
			9.6 "Using LAMMPS from Python"_9_6 :b
			9.7 "Example Python scripts that use LAMMPS"_9_7 :ule,b
	"Errors"_Section_errors.html :l		"Errors"_Section_errors.html :l
	9.1 "Common problems"_9_1 :ulb,b		10.1 "Common problems"_10_1 :ulb,b
	9.2 "Reporting bugs"_9_2 :b		10.2 "Reporting bugs"_10_2 :b
	9.3 "Error & warning messages"_9_3 :ule,b		10.3 "Error & warning messages"_10_3 :ule,b
	"Future and history"_Section_history.html :l		"Future and history"_Section_history.html :l
	10.1 "Coming attractions"_10_1 :ulb,b		11.1 "Coming attractions"_11_1 :ulb,b
	10.2 "Past versions"_10_2 :ule,b		11.2 "Past versions"_11_2 :ule,b
	:ole		:ole

	:link(1_1,Section_intro.html#1_1)		:link(1_1,Section_intro.html#1_1)
	@@ -166,12 +175,21 @@ listed above.
	:link(4_16,Section_howto.html#4_16)		:link(4_16,Section_howto.html#4_16)
	:link(4_17,Section_howto.html#4_17)		:link(4_17,Section_howto.html#4_17)
	:link(4_18,Section_howto.html#4_18)		:link(4_18,Section_howto.html#4_18)
			:link(4_19,Section_howto.html#4_19)
	:link(9_1,Section_errors.html#9_1)
	:link(9_2,Section_errors.html#9_2)		:link(9_1,Section_python.html#9_1)
	:link(9_3,Section_errors.html#9_3)		:link(9_2,Section_python.html#9_2)
			:link(9_3,Section_python.html#9_3)
	:link(10_1,Section_history.html#10_1)		:link(9_4,Section_python.html#9_4)
	:link(10_2,Section_history.html#10_2)		:link(9_5,Section_python.html#9_5)
			:link(9_6,Section_python.html#9_6)
			:link(9_7,Section_python.html#9_7)

			:link(10_1,Section_errors.html#10_1)
			:link(10_2,Section_errors.html#10_2)
			:link(10_3,Section_errors.html#10_3)

			:link(11_1,Section_history.html#11_1)
			:link(11_2,Section_history.html#11_2)

	</BODY>		</BODY>

doc/Section_errors.html

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	<HTML>		<HTML>
	<CENTER><A HREF = "Section_modify.html">Previous Section</A> - <A HREF = "http://lammps.sandia.gov">LAMMPS WWW Site</A> -		<CENTER><A HREF = "Section_python.html">Previous Section</A> - <A HREF = "http://lammps.sandia.gov">LAMMPS WWW Site</A> -
	<A HREF = "Manual.html">LAMMPS Documentation</A> - <A HREF = "Section_commands.html#comm">LAMMPS Commands</A> - <A HREF = "Section_history.html">Next		<A HREF = "Manual.html">LAMMPS Documentation</A> - <A HREF = "Section_commands.html#comm">LAMMPS Commands</A> - <A HREF = "Section_history.html">Next
	Section</A>		Section</A>
	</CENTER>		</CENTER>
	@@ -11,18 +11,18 @@ Section</A>

	<HR>		<HR>

	<H3>9. Errors		<H3>10. Errors
	</H3>		</H3>
	<P>This section describes the various kinds of errors you can encounter		<P>This section describes the various kinds of errors you can encounter
	when using LAMMPS.		when using LAMMPS.
	</P>		</P>
	9.1 <A HREF = "#9_1">Common problems</A><BR>		10.1 <A HREF = "#10_1">Common problems</A><BR>
	9.2 <A HREF = "#9_2">Reporting bugs</A><BR>		10.2 <A HREF = "#10_2">Reporting bugs</A><BR>
	9.3 <A HREF = "#9_3">Error & warning messages</A> <BR>		10.3 <A HREF = "#10_3">Error & warning messages</A> <BR>

	<HR>		<HR>

	<A NAME = "9_1"></A><H4>9.1 Common problems		<A NAME = "10_1"></A><H4>10.1 Common problems
	</H4>		</H4>
	<P>If two LAMMPS runs do not produce the same answer on different		<P>If two LAMMPS runs do not produce the same answer on different
	machines or different numbers of processors, this is typically not a		machines or different numbers of processors, this is typically not a
	@@ -81,7 +81,7 @@ decide if the WARNING is important or not. A WARNING message that is
	generated in the middle of a run is only printed to the screen, not to		generated in the middle of a run is only printed to the screen, not to
	the logfile, to avoid cluttering up thermodynamic output. If LAMMPS		the logfile, to avoid cluttering up thermodynamic output. If LAMMPS
	crashes or hangs without spitting out an error message first then it		crashes or hangs without spitting out an error message first then it
	could be a bug (see <A HREF = "#9_2">this section</A>) or one of the following		could be a bug (see <A HREF = "#10_2">this section</A>) or one of the following
	cases:		cases:
	</P>		</P>
	<P>LAMMPS runs in the available memory a processor allows to be		<P>LAMMPS runs in the available memory a processor allows to be
	@@ -112,7 +112,7 @@ buffering or boost the sizes of messages that can be buffered.
	</P>		</P>
	<HR>		<HR>

	<A NAME = "9_2"></A><H4>9.2 Reporting bugs		<A NAME = "10_2"></A><H4>10.2 Reporting bugs
	</H4>		</H4>
	<P>If you are confident that you have found a bug in LAMMPS, follow these		<P>If you are confident that you have found a bug in LAMMPS, follow these
	steps.		steps.
	@@ -142,7 +142,7 @@ causing the problem.
	</P>		</P>
	<HR>		<HR>

	<H4><A NAME = "9_3"></A>9.3 Error & warning messages		<H4><A NAME = "10_3"></A>10.3 Error & warning messages
	</H4>		</H4>
	<P>These are two alphabetic lists of the <A HREF = "#error">ERROR</A> and		<P>These are two alphabetic lists of the <A HREF = "#error">ERROR</A> and
	<A HREF = "#warn">WARNING</A> messages LAMMPS prints out and the reason why. If the		<A HREF = "#warn">WARNING</A> messages LAMMPS prints out and the reason why. If the

doc/Section_errors.txt

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	"Previous Section"_Section_modify.html - "LAMMPS WWW Site"_lws -		"Previous Section"_Section_python.html - "LAMMPS WWW Site"_lws -
	"LAMMPS Documentation"_ld - "LAMMPS Commands"_lc - "Next		"LAMMPS Documentation"_ld - "LAMMPS Commands"_lc - "Next
	Section"_Section_history.html :c		Section"_Section_history.html :c

	@@ -8,18 +8,18 @@ Section"_Section_history.html :c

	:line		:line

	9. Errors :h3		10. Errors :h3

	This section describes the various kinds of errors you can encounter		This section describes the various kinds of errors you can encounter
	when using LAMMPS.		when using LAMMPS.

	9.1 "Common problems"_#9_1		10.1 "Common problems"_#10_1
	9.2 "Reporting bugs"_#9_2		10.2 "Reporting bugs"_#10_2
	9.3 "Error & warning messages"_#9_3 :all(b)		10.3 "Error & warning messages"_#10_3 :all(b)

	:line		:line

	9.1 Common problems :link(9_1),h4		10.1 Common problems :link(10_1),h4

	If two LAMMPS runs do not produce the same answer on different		If two LAMMPS runs do not produce the same answer on different
	machines or different numbers of processors, this is typically not a		machines or different numbers of processors, this is typically not a
	@@ -78,7 +78,7 @@ decide if the WARNING is important or not. A WARNING message that is
	generated in the middle of a run is only printed to the screen, not to		generated in the middle of a run is only printed to the screen, not to
	the logfile, to avoid cluttering up thermodynamic output. If LAMMPS		the logfile, to avoid cluttering up thermodynamic output. If LAMMPS
	crashes or hangs without spitting out an error message first then it		crashes or hangs without spitting out an error message first then it
	could be a bug (see "this section"_#9_2) or one of the following		could be a bug (see "this section"_#10_2) or one of the following
	cases:		cases:

	LAMMPS runs in the available memory a processor allows to be		LAMMPS runs in the available memory a processor allows to be
	@@ -109,7 +109,7 @@ buffering or boost the sizes of messages that can be buffered.

	:line		:line

	9.2 Reporting bugs :link(9_2),h4		10.2 Reporting bugs :link(10_2),h4

	If you are confident that you have found a bug in LAMMPS, follow these		If you are confident that you have found a bug in LAMMPS, follow these
	steps.		steps.
	@@ -139,7 +139,7 @@ As a last resort, you can send an email directly to the

	:line		:line

	9.3 Error & warning messages :h4,link(9_3)		10.3 Error & warning messages :h4,link(10_3)

	These are two alphabetic lists of the "ERROR"_#error and		These are two alphabetic lists of the "ERROR"_#error and
	"WARNING"_#warn messages LAMMPS prints out and the reason why. If the		"WARNING"_#warn messages LAMMPS prints out and the reason why. If the

doc/Section_history.html

+5 −5

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	@@ -9,18 +9,18 @@

	<HR>		<HR>

	<H3>10. Future and history		<H3>11. Future and history
	</H3>		</H3>
	<P>This section lists features we are planning to add to LAMMPS, features		<P>This section lists features we are planning to add to LAMMPS, features
	of previous versions of LAMMPS, and features of other parallel		of previous versions of LAMMPS, and features of other parallel
	molecular dynamics codes I've distributed.		molecular dynamics codes I've distributed.
	</P>		</P>
	10.1 <A HREF = "#10_1">Coming attractions</A><BR>		11.1 <A HREF = "#11_1">Coming attractions</A><BR>
	10.2 <A HREF = "#10_2">Past versions</A> <BR>		11.2 <A HREF = "#11_2">Past versions</A> <BR>

	<HR>		<HR>

	<H4><A NAME = "10_1"></A>10.1 Coming attractions		<H4><A NAME = "11_1"></A>11.1 Coming attractions
	</H4>		</H4>
	<P>The current version of LAMMPS incorporates nearly all the features		<P>The current version of LAMMPS incorporates nearly all the features
	from previous parallel MD codes developed at Sandia. These include		from previous parallel MD codes developed at Sandia. These include
	@@ -49,7 +49,7 @@ page</A> on the LAMMPS WWW site for more details.
	</UL>		</UL>
	<HR>		<HR>

	<H4><A NAME = "10_2"></A>10.2 Past versions		<H4><A NAME = "11_2"></A>11.2 Past versions
	</H4>		</H4>
	<P>LAMMPS development began in the mid 1990s under a cooperative research		<P>LAMMPS development began in the mid 1990s under a cooperative research
	& development agreement (CRADA) between two DOE labs (Sandia and LLNL)		& development agreement (CRADA) between two DOE labs (Sandia and LLNL)

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