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increased precision for mass calculation
instead of doing a simple summation of all atoms in an entity the summation is now done hierarchically, thereby reducing the rounding error
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- modules/mol/base/src/chain_view.cc 2 additions, 6 deletionsmodules/mol/base/src/chain_view.cc
- modules/mol/base/src/entity_view.cc 4 additions, 4 deletionsmodules/mol/base/src/entity_view.cc
- modules/mol/base/src/impl/chain_impl.cc 2 additions, 5 deletionsmodules/mol/base/src/impl/chain_impl.cc
- modules/mol/base/src/impl/entity_impl.cc 5 additions, 4 deletionsmodules/mol/base/src/impl/entity_impl.cc
- modules/mol/base/src/impl/residue_impl.cc 1 addition, 1 deletionmodules/mol/base/src/impl/residue_impl.cc
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