Menu

mgls-based

Ivan Šimeček
Settings for MultiGrid Local Search-based methods

for orthorhombic and monoclinic systems :
STEPS = the number of steps in all dimensions for MGLS-based methods

** WARNING ** time of solution grows with STEP^3 (for orthorhombic system) or with STEP^4 (for monoclinic systems), but the value 30 seem to be a good threshold: high probability to find the correct solution and also a reasonble time for solution.

for triclinic system ( WARNING ** time of solution grows with STEP^3 * STEP1^3):
STEPS = the number of steps in the dimensions a,b,c for MGLS-based methods
STEP1**= the number of steps in the dimension alpha,beta, and gamma


Related

Wiki: configuration

MongoDB Logo MongoDB