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c84a9dd4

Commit c84a9dd4 authored 7 years ago by Studer Gabriel

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add function to get the names of all building blocks present in a forcefield

parent 544f0992

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modules/mol/mm/doc/forcefield.rst 5 additions, 0 deletions

modules/mol/mm/doc/forcefield.rst
modules/mol/mm/pymod/export_forcefield.cc 11 additions, 0 deletions

modules/mol/mm/pymod/export_forcefield.cc
modules/mol/mm/src/forcefield.cc 11 additions, 0 deletions

modules/mol/mm/src/forcefield.cc
modules/mol/mm/src/forcefield.hh 2 additions, 0 deletions

modules/mol/mm/src/forcefield.hh

with 29 additions and 0 deletions

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