The Cassandra mcf writer writes LJ parameters with only 3 decimal places, but other writers write more decimal places, such as the lammpsdata writer using 5 decimal places (albeit with different units for epsilon). I propose increasing the number of decimal places written for LJ parameters in the mcf files to promote better agreement with different simulation engines.
The Cassandra mcf writer writes LJ parameters with only 3 decimal places, but other writers write more decimal places, such as the lammpsdata writer using 5 decimal places (albeit with different units for epsilon). I propose increasing the number of decimal places written for LJ parameters in the mcf files to promote better agreement with different simulation engines.