fix bond/react: generalized classical chemical reactions
Showing
- doc/src/fix_bond_react.txt 206 additions, 0 deletionsdoc/src/fix_bond_react.txt
- examples/bond_react/tiny_nylon/infromdata.class2 51 additions, 0 deletionsexamples/bond_react/tiny_nylon/infromdata.class2
- examples/bond_react/tiny_nylon/rxn1_stp1_map 35 additions, 0 deletionsexamples/bond_react/tiny_nylon/rxn1_stp1_map
- examples/bond_react/tiny_nylon/rxn1_stp1_reacted.data_template 189 additions, 0 deletions...les/bond_react/tiny_nylon/rxn1_stp1_reacted.data_template
- examples/bond_react/tiny_nylon/rxn1_stp1_unreacted.data_template 160 additions, 0 deletions...s/bond_react/tiny_nylon/rxn1_stp1_unreacted.data_template
- examples/bond_react/tiny_nylon/rxn1_stp2_map 32 additions, 0 deletionsexamples/bond_react/tiny_nylon/rxn1_stp2_map
- examples/bond_react/tiny_nylon/rxn1_stp2_reacted.data_template 131 additions, 0 deletions...les/bond_react/tiny_nylon/rxn1_stp2_reacted.data_template
- examples/bond_react/tiny_nylon/rxn1_stp2_unreacted.data_template 158 additions, 0 deletions...s/bond_react/tiny_nylon/rxn1_stp2_unreacted.data_template
- examples/bond_react/tiny_nylon/tiny_nylon.data 795 additions, 0 deletionsexamples/bond_react/tiny_nylon/tiny_nylon.data
- src/fix_bond_react.cpp 2696 additions, 0 deletionssrc/fix_bond_react.cpp
- src/fix_bond_react.h 218 additions, 0 deletionssrc/fix_bond_react.h
- src/fix_group.cpp 31 additions, 2 deletionssrc/fix_group.cpp
- src/fix_group.h 3 additions, 3 deletionssrc/fix_group.h
- src/fix_nve_limit.cpp 1 addition, 0 deletionssrc/fix_nve_limit.cpp
- src/fix_temp_rescale.cpp 4 additions, 3 deletionssrc/fix_temp_rescale.cpp
- src/write_data.cpp 2 additions, 2 deletionssrc/write_data.cpp
Loading
Please register or sign in to comment