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Support optional grid configuration string in colvar_grid_scalar
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2 files changed

+5
-3
lines changed

2 files changed

+5
-3
lines changed

src/colvargrid.cpp

Lines changed: 3 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -133,8 +133,9 @@ colvar_grid_scalar::colvar_grid_scalar(colvar_grid_scalar const &g)
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colvar_grid_scalar::colvar_grid_scalar(std::vector<colvar *> &colvars,
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std::shared_ptr<const colvar_grid_params> params,
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bool add_extra_bin)
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: colvar_grid<cvm::real>(colvars, 0.0, 1, add_extra_bin, params), samples(NULL)
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bool add_extra_bin,
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std::string config)
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: colvar_grid<cvm::real>(colvars, 0.0, 1, add_extra_bin, params, config), samples(NULL)
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{
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}
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src/colvargrid.h

Lines changed: 2 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -1294,7 +1294,8 @@ class colvar_grid_scalar : public colvar_grid<cvm::real>
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/// Constructor from a vector of colvars
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colvar_grid_scalar(std::vector<colvar *> &colvars,
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std::shared_ptr<const colvar_grid_params> params = nullptr,
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bool add_extra_bin = false);
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bool add_extra_bin = false,
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std::string config = std::string());
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/// Accumulate the value
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inline void acc_value(std::vector<int> const &ix,

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