git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14829 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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@ -5,6 +5,7 @@
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#include "colvarmodule.h"
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#include "colvarparse.h"
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#include "colvardeps.h"
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/// \brief Stores numeric id, mass and all mutable data for an atom,
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@ -138,7 +139,7 @@ public:
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/// \brief Group of \link atom \endlink objects, mostly used by a
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/// \link cvc \endlink object to gather all atomic data
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class colvarmodule::atom_group
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: public colvarparse
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: public colvarparse, public cvm::deps
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{
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public:
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@ -187,8 +188,13 @@ public:
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/// change atom masses after their initialization.
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void reset_mass(std::string &name, int i, int j);
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/// \brief Whether or not the properties of this group will be computed in parallel
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bool b_scalable;
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/// \brief Implementation of the feature list for atom group
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static std::vector<feature *> ag_features;
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/// \brief Implementation of the feature list accessor for atom group
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virtual std::vector<feature *> &features() {
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return ag_features;
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}
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/// \brief Default constructor
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atom_group();
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@ -325,10 +331,6 @@ public:
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/// \brief Move all positions
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void apply_translation(cvm::rvector const &t);
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/// \brief Rotate all positions around the center of geometry
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void apply_rotation(cvm::rotation const &q);
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/// \brief Get the current velocities; this must be called always
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/// *after* read_positions(); if b_rotate is defined, the same
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/// rotation applied to the coordinates will be used
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