Loading tools/msi2lmp/README +2 −0 Original line number Diff line number Diff line Loading @@ -140,6 +140,8 @@ msi2lmp has the following known limitations: - there is no support for auto-equivalences to supplement fully parameterized interactions with heuristic ones - there is no support for bond increments - there is no support for coordinates defined by symmetry operations, i.e. the .mdf file has to be set up for space group P1 ------------------------------------------------------------------------ Loading Loading
tools/msi2lmp/README +2 −0 Original line number Diff line number Diff line Loading @@ -140,6 +140,8 @@ msi2lmp has the following known limitations: - there is no support for auto-equivalences to supplement fully parameterized interactions with heuristic ones - there is no support for bond increments - there is no support for coordinates defined by symmetry operations, i.e. the .mdf file has to be set up for space group P1 ------------------------------------------------------------------------ Loading
