math functions = div(x,y), mult(x,y), add(x,y), ...

group functions = mass(group), xcm(group,x), ...

atom values = x<B>123</B>, y<B>3</B>, vx<B>34</B>, ...

compute values = c_mytemp<B>0</B>, c_thermo_pressure<B>3</B>, ...

compute values = c_mytemp<B>0</B>, c_thermo_press<B>3</B>, ...

</P>

<P>Adding keywords for the <A HREF = "themo_style.html">thermo_style custom</A> command

(which can then be accessed by variables) was discussed

math functions = div(x,y), mult(x,y), add(x,y), ...

group functions = mass(group), xcm(group,x), ...

atom values = x[123], y[3], vx[34], ...

compute values = c_mytemp[0], c_thermo_pressure[3], ...

compute values = c_mytemp[0], c_thermo_press[3], ...

Adding keywords for the "thermo_style custom"_themo_style.html command

(which can then be accessed by variables) was discussed

</P>

<P>(7) There are a few other -D compiler switches you can set as part of

CCFLAGS.  The read_data and dump commands will read/write gzipped

files if you compile with -DGZIP.  It requires that your Unix support

the "popen" command.  Using one of the -DPACK_ARRAY, -DPACK_POINTER,

and -DPACK_MEMCPY options can make for faster parallel FFTs (in the

PPPM solver) on some platforms.  The -DPACK_ARRAY setting is the

default.  If you compile with -DLAMMPS_XDR, the build will include XDR

compatability files for doing particle dumps in XTC format.  This is

only necessary if your platform does have its own XDR files available.

See the Restrictions section of the <A HREF = "dump.html">dump</A> command for

details.

files if you compile with -DLAMMPS_GZIP.  It requires that your Unix

support the "popen" command.  Using one of the -DPACK_ARRAY,

-DPACK_POINTER, and -DPACK_MEMCPY options can make for faster parallel

FFTs (in the PPPM solver) on some platforms.  The -DPACK_ARRAY setting

is the default.  If you compile with -DLAMMPS_XDR, the build will

include XDR compatability files for doing particle dumps in XTC

format.  This is only necessary if your platform does have its own XDR

files available.  See the Restrictions section of the <A HREF = "dump.html">dump</A>

command for details.

</P>

<P>(8) The DEPFLAGS setting is how the C++ compiler creates a dependency

file for each source file.  This speeds re-compilation when source

(7) There are a few other -D compiler switches you can set as part of

CCFLAGS.  The read_data and dump commands will read/write gzipped

files if you compile with -DGZIP.  It requires that your Unix support

the "popen" command.  Using one of the -DPACK_ARRAY, -DPACK_POINTER,

and -DPACK_MEMCPY options can make for faster parallel FFTs (in the

PPPM solver) on some platforms.  The -DPACK_ARRAY setting is the

default.  If you compile with -DLAMMPS_XDR, the build will include XDR

compatability files for doing particle dumps in XTC format.  This is

only necessary if your platform does have its own XDR files available.

See the Restrictions section of the "dump"_dump.html command for

details.

files if you compile with -DLAMMPS_GZIP.  It requires that your Unix

support the "popen" command.  Using one of the -DPACK_ARRAY,

-DPACK_POINTER, and -DPACK_MEMCPY options can make for faster parallel

FFTs (in the PPPM solver) on some platforms.  The -DPACK_ARRAY setting

is the default.  If you compile with -DLAMMPS_XDR, the build will

include XDR compatability files for doing particle dumps in XTC

format.  This is only necessary if your platform does have its own XDR

files available.  See the Restrictions section of the "dump"_dump.html

command for details.

(8) The DEPFLAGS setting is how the C++ compiler creates a dependency

file for each source file.  This speeds re-compilation when source

</P>

<P>LAMMPS creates its own global computes for thermodynamic output.

Three computes are always created, named "thermo_temp",

"thermo_pressure", and "thermo_pe", as if these commands had been

invoked in the input script:

"thermo_press", and "thermo_pe", as if these commands had been invoked

in the input script:

</P>

<PRE>compute thermo_temp all temp

compute thermo_pressure all pressure thermo_temp

compute thermo_press all pressure thermo_temp

compute thermo_pe all pe 

</PRE>

<P>Additional computes for other quantities are created if the thermo