- Timestamp:
- Mar 23, 2011 5:25:21 PM (10 years ago)
- File:
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- 1 edited
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branches/sandbox/rb.tcl
r1123 r1124 794 794 } err 795 795 #puts $err 796 #file delete geom.inp796 file delete geom.inp 797 797 set fp [open geom.out r] 798 798 set origin {} … … 1073 1073 puts $fraclist 1074 1074 set xform [CalcXformMatrix $Euler $cell] 1075 puts "entering FitBodyOrigin"1075 #puts "entering FitBodyOrigin" 1076 1076 foreach var {x y z} {set sum($var) 0.0} 1077 1077 set i 0 … … 1086 1086 set dvs 0 1087 1087 foreach var {x y z} v1 $frac v2 $coord abc [lrange $cell 0 2] { 1088 puts "v2 = $v2"1089 puts "v1 = $v1"1090 puts "abc = $abc"1088 #puts "v2 = $v2" 1089 #puts "v1 = $v1" 1090 #puts "abc = $abc" 1091 1091 set dv [expr {($v2 - $v1)*$abc}] 1092 1092 set dvs [expr {$dvs + $dv*$dv}] 1093 1093 set sumdvs [expr {$sumdvs + $dv*$dv}] 1094 1094 if {$use} {set sum($var) [expr {$sum($var) + $dv/$abc}]} 1095 puts "round and round"1095 #puts "round and round" 1096 1096 } 1097 1097 lappend rmsout [expr {sqrt($dvs)}]
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