git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13232 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2015-03-12 14:25:00 +00:00
parent ca6790fec2
commit 9f8c7a438a
6 changed files with 42 additions and 10 deletions

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@ -136,9 +136,9 @@ variable X delete
contain nested $ characters for other variables to substitute for.
Thus you cannot do this:
</P>
<PRE>variable a equal 2
variable b2 equal 4
print "B2 = ${b$a}"
<PRE>variable a equal 2
variable b2 equal 4
region 1 block ${b$a} 2 INF INF EDGE EDGE
</PRE>
<P>Nor can you specify this $($x-1.0) for an immediate variable, but
you could use $(v_x-1.0), since the latter is valid syntax for an

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@ -132,9 +132,9 @@ Note that neither the curly-bracket or immediate form of variables can
contain nested $ characters for other variables to substitute for.
Thus you cannot do this:
variable a equal 2
variable b2 equal 4
print "B2 = $\{b$a\}" :pre
variable a equal 2
variable b2 equal 4
region 1 block $\{b$a\} 2 INF INF EDGE EDGE :pre
Nor can you specify this $($x-1.0) for an immediate variable, but
you could use $(v_x-1.0), since the latter is valid syntax for an

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@ -1087,6 +1087,19 @@ error. This means you will need to install a shared library version
of the auxiliary library. The build instructions for the library
should tell you how to do this.
</P>
<P>Here is an example of such errors when the system FFTW or provided
lib/colvars library have not been built as shared libraries:
</P>
<PRE>/usr/bin/ld: /usr/local/lib/libfftw3.a(mapflags.o): relocation
R_X86_64_32 against `.rodata' can not be used when making a shared
object; recompile with -fPIC
/usr/local/lib/libfftw3.a: could not read symbols: Bad value
</PRE>
<PRE>/usr/bin/ld: ../../lib/colvars/libcolvars.a(colvarmodule.o):
relocation R_X86_64_32 against `__pthread_key_create' can not be used
when making a shared object; recompile with -fPIC
../../lib/colvars/libcolvars.a: error adding symbols: Bad value
</PRE>
<P>As an example, here is how to build and install the <A HREF = "http://www-unix.mcs.anl.gov/mpi">MPICH
library</A>, a popular open-source version of MPI, distributed by
Argonne National Labs, as a shared library in the default

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@ -1079,6 +1079,19 @@ error. This means you will need to install a shared library version
of the auxiliary library. The build instructions for the library
should tell you how to do this.
Here is an example of such errors when the system FFTW or provided
lib/colvars library have not been built as shared libraries:
/usr/bin/ld: /usr/local/lib/libfftw3.a(mapflags.o): relocation
R_X86_64_32 against `.rodata' can not be used when making a shared
object; recompile with -fPIC
/usr/local/lib/libfftw3.a: could not read symbols: Bad value :pre
/usr/bin/ld: ../../lib/colvars/libcolvars.a(colvarmodule.o):
relocation R_X86_64_32 against `__pthread_key_create' can not be used
when making a shared object; recompile with -fPIC
../../lib/colvars/libcolvars.a: error adding symbols: Bad value :pre
As an example, here is how to build and install the "MPICH
library"_mpich, a popular open-source version of MPI, distributed by
Argonne National Labs, as a shared library in the default

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@ -248,11 +248,14 @@ cutoff + 2*qdist, to shrink the size of the neighbor list. This leads
to slightly larger cost for the long-range calculation, so you can
test the trade-off for your model.
</P>
<P>These potentials are designed to be combined with other pair
<HR>
<P>Note that these potentials are designed to be combined with other pair
potentials via the <A HREF = "pair_hybrid.html">pair_style hybrid/overlay</A>
command. This is because they have no repulsive core. Hence if they
are used by themselves, there will be no repulsion to keep two
oppositely charged particles from overlapping each other.
oppositely charged particles from moving arbitrarily close to each
other.
</P>
<P>The following coefficients must be defined for each pair of atoms
types via the <A HREF = "pair_coeff.html">pair_coeff</A> command as in the examples

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@ -222,11 +222,14 @@ cutoff + 2*qdist, to shrink the size of the neighbor list. This leads
to slightly larger cost for the long-range calculation, so you can
test the trade-off for your model.
These potentials are designed to be combined with other pair
:line
Note that these potentials are designed to be combined with other pair
potentials via the "pair_style hybrid/overlay"_pair_hybrid.html
command. This is because they have no repulsive core. Hence if they
are used by themselves, there will be no repulsion to keep two
oppositely charged particles from overlapping each other.
oppositely charged particles from moving arbitrarily close to each
other.
The following coefficients must be defined for each pair of atoms
types via the "pair_coeff"_pair_coeff.html command as in the examples