Update Colvars library to version 2019-04-26
The following is list of relevant issues fixed and improvements: Fix forces and missing output of runtime histogram for histogramRestraint https://github.com/Colvars/colvars/pull/246 Use fix_modify to add configuration to Colvars: https://github.com/Colvars/colvars/pull/216 Fix componentCoeff and name not working with orientationAngle components: https://github.com/Colvars/colvars/issues/213 Fix 1-timestep offset with extendedLagrangian: https://github.com/Colvars/colvars/pull/210 Changes to improve compiler support: https://github.com/Colvars/colvars/pull/203 Fix ignored anisotropic cutoff3 for groupCoordNum: https://github.com/Colvars/colvars/pull/202 New dipoleMagnitude variable: https://github.com/Colvars/colvars/pull/198 Parser improvements: https://github.com/Colvars/colvars/pull/196
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@ -96,6 +96,9 @@ public:
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/// \brief Parse config string and (re)initialize
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virtual int init(std::string const &conf);
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/// \brief Initialize dependency tree
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virtual int init_dependencies();
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/// \brief Set to zero all mutable data
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virtual int reset();
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@ -181,7 +184,7 @@ public:
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static std::vector<feature *> cvb_features;
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/// \brief Implementation of the feature list accessor for colvarbias
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virtual const std::vector<feature *> &features()
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virtual const std::vector<feature *> &features() const
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{
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return cvb_features;
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}
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@ -220,7 +223,7 @@ protected:
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bool has_data;
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/// \brief Step number read from the last state file
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size_t state_file_step;
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cvm::step_number state_file_step;
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};
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