Changeset 4953


Ignore:
Timestamp:
Jun 12, 2021 8:55:09 PM (4 months ago)
Author:
toby
Message:

fix fullrmc rmax bug

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIpwd.py

    r4952 r4953  
    30173017# otherwise build it
    30183018ENGINE = Engine(path=None)
    3019 Ebc = ENGINE.boundaryConditions
    30203019if not ENGINE.is_engine(engineFileName) or FRESH_START:
    30213020    ## create structure
     
    30253024                                 unitcellBC = cell,
    30263025                                 supercell  = supercell)
     3026    Ebc = ENGINE.boundaryConditions
    30273027    rmax = min( [Ebc.get_a(), Ebc.get_b(), Ebc.get_c()] ) /2.
    30283028'''   
     
    31043104else:
    31053105    ENGINE = ENGINE.load(path=engineFileName)
     3106    Ebc = ENGINE.boundaryConditions
    31063107    rmax = min( [Ebc.get_a(), Ebc.get_b(), Ebc.get_c()] ) /2.
    31073108
Note: See TracChangeset for help on using the changeset viewer.