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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13232 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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@ -136,9 +136,9 @@ variable X delete
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contain nested $ characters for other variables to substitute for.
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Thus you cannot do this:
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</P>
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<PRE>variable a equal 2
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variable b2 equal 4
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print "B2 = ${b$a}"
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<PRE>variable a equal 2
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variable b2 equal 4
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region 1 block ${b$a} 2 INF INF EDGE EDGE
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</PRE>
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<P>Nor can you specify this $($x-1.0) for an immediate variable, but
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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
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contain nested $ characters for other variables to substitute for.
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Thus you cannot do this:
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variable a equal 2
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variable b2 equal 4
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print "B2 = $\{b$a\}" :pre
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variable a equal 2
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variable b2 equal 4
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region 1 block $\{b$a\} 2 INF INF EDGE EDGE :pre
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Nor can you specify this $($x-1.0) for an immediate variable, but
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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
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of the auxiliary library. The build instructions for the library
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should tell you how to do this.
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</P>
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<P>Here is an example of such errors when the system FFTW or provided
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lib/colvars library have not been built as shared libraries:
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</P>
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<PRE>/usr/bin/ld: /usr/local/lib/libfftw3.a(mapflags.o): relocation
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R_X86_64_32 against `.rodata' can not be used when making a shared
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object; recompile with -fPIC
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/usr/local/lib/libfftw3.a: could not read symbols: Bad value
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</PRE>
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<PRE>/usr/bin/ld: ../../lib/colvars/libcolvars.a(colvarmodule.o):
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relocation R_X86_64_32 against `__pthread_key_create' can not be used
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when making a shared object; recompile with -fPIC
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../../lib/colvars/libcolvars.a: error adding symbols: Bad value
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</PRE>
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<P>As an example, here is how to build and install the <A HREF = "http://www-unix.mcs.anl.gov/mpi">MPICH
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library</A>, a popular open-source version of MPI, distributed by
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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
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of the auxiliary library. The build instructions for the library
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should tell you how to do this.
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Here is an example of such errors when the system FFTW or provided
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lib/colvars library have not been built as shared libraries:
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/usr/bin/ld: /usr/local/lib/libfftw3.a(mapflags.o): relocation
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R_X86_64_32 against `.rodata' can not be used when making a shared
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object; recompile with -fPIC
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/usr/local/lib/libfftw3.a: could not read symbols: Bad value :pre
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/usr/bin/ld: ../../lib/colvars/libcolvars.a(colvarmodule.o):
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relocation R_X86_64_32 against `__pthread_key_create' can not be used
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when making a shared object; recompile with -fPIC
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../../lib/colvars/libcolvars.a: error adding symbols: Bad value :pre
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As an example, here is how to build and install the "MPICH
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library"_mpich, a popular open-source version of MPI, distributed by
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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
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to slightly larger cost for the long-range calculation, so you can
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test the trade-off for your model.
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</P>
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<P>These potentials are designed to be combined with other pair
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<HR>
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<P>Note that these potentials are designed to be combined with other pair
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potentials via the <A HREF = "pair_hybrid.html">pair_style hybrid/overlay</A>
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command. This is because they have no repulsive core. Hence if they
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are used by themselves, there will be no repulsion to keep two
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oppositely charged particles from overlapping each other.
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oppositely charged particles from moving arbitrarily close to each
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other.
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</P>
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<P>The following coefficients must be defined for each pair of atoms
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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
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to slightly larger cost for the long-range calculation, so you can
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test the trade-off for your model.
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These potentials are designed to be combined with other pair
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:line
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Note that these potentials are designed to be combined with other pair
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potentials via the "pair_style hybrid/overlay"_pair_hybrid.html
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command. This is because they have no repulsive core. Hence if they
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are used by themselves, there will be no repulsion to keep two
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oppositely charged particles from overlapping each other.
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oppositely charged particles from moving arbitrarily close to each
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other.
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The following coefficients must be defined for each pair of atoms
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types via the "pair_coeff"_pair_coeff.html command as in the examples
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