Changeset 57


Ignore:
Timestamp:
Dec 4, 2009 4:59:41 PM (11 years ago)
Author:
toby
Message:

# on 1999/02/18 23:28:46, toby did:
Fix U aniso order

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/readexp.tcl

    • Property rcs:date changed from 1999/02/18 22:50:03 to 1999/02/18 23:28:46
    • Property rcs:lines changed from +6 -1 to +6 -6
    • Property rcs:rev changed from 1.7 to 1.8
    r56 r57  
    487487#     U33  -- Anisotropic temperature factor (*)
    488488#     U12  -- Anisotropic temperature factor (*)
     489#     U13  -- Anisotropic temperature factor (*)
    489490#     U23  -- Anisotropic temperature factor (*)
    490 #     U13  -- Anisotropic temperature factor (*)
    491491#     xref/xdamp -- refinement flag/damping value for the coordinates (*)
    492492#     uref/udamp -- refinement flag/damping value for the temperature factor(s)  (*)
     
    560560                } elseif {$type == "12"} {
    561561                    return [string trim [string range [readexp ${key}B] 30 39] ]
     562                } elseif {$type == "13"} {
     563                    return [string trim [string range [readexp ${key}B] 40 49] ]
    562564                } elseif {$type == "23"} {
    563                     return [string trim [string range [readexp ${key}B] 40 49] ]
    564                 } elseif {$type == "13"} {
    565565                    return [string trim [string range [readexp ${key}B] 50 59] ]
    566566                }
     
    577577                } elseif {$type == "12"} {
    578578                    setexp ${key}B $value 31 10
     579                } elseif {$type == "13"} {
     580                    setexp ${key}B $value 41 10
    579581                } elseif {$type == "23"} {
    580                     setexp ${key}B $value 41 10
    581                 } elseif {$type == "13"} {
    582582                    setexp ${key}B $value 51 10
    583583                }
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