source: branches/sandbox

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Diff Rev Age Author Log Message
(edit) @1221   11 years toby more Fourier work; remove warning on R *3* H sg in CIF
(edit) @1220   11 years toby fix chem constrain add row bug; Add Fourier to export_drawxtl; new …
(edit) @1217   11 years toby update sandbox docs
(edit) @1216   11 years toby bring proxy support back to sandbox
(edit) @1215   11 years toby Split restraints & constraints; add compositional (chemical) constraint
(edit) @1214   11 years lake fixed the euler angle - origin mixup. Damping factors now work …
(edit) @1213   11 years toby routine for chemical restraint added (ChemConst?)
(edit) @1212   11 years lake
(edit) @1211   11 years toby manage abs constraints; changes to support MakeHistBox? in dialog
(edit) @1210   11 years lake new toys in the rigid body code (rigid.tcl). (1) - displays and allows …
(edit) @1209   11 years toby start on Fourier calc and absorption constraints
(edit) @1208   11 years toby Add routines for Fourier map access
(edit) @1207   11 years lake fixed the variable number reader in the rigid body code.
(edit) @1206   11 years lake
(edit) @1205   11 years lake
(edit) @1204   11 years toby f' & f" editor; import z-mat change is unclear
(edit) @1189   11 years toby fix bug in releasing fixed atoms; finish interface for fixed parms in …
(edit) @1187   11 years toby bug in RB_Ref_FlagEnable
(edit) @1185   11 years toby liveplot: plottitle opts, bkgedit: match to liveplot, add update after …
(edit) @1183   11 years toby make hist file on plot a saved toggle option
(edit) @1182   11 years toby bug fixes: dummy hist: disable CIF read; remove default phase when …
(edit) @1180   11 years toby liveplot updates for Topas, etc.
(edit) @1179   11 years toby add TOPAS import to liveplot
(edit) @1178   11 years toby add log(I) option to liveplot: request from Ling Yang
(edit) @1176   11 years toby fix missing scale factor record
(edit) @1174   11 years toby Revise routine for loading rbimport_*.tcl files; update MacroRecord? …
(edit) @1173   12 years toby fix RB where atoms are missing in sequence; turn of X flag when atoms …
(edit) @1172   12 years toby fix/enhance rigid bodies some
(edit) @1171   12 years lake fixed the library issue
(edit) @1170   12 years toby add msg on update
(edit) @1169   12 years toby fix revised update for sandbox
(edit) @1168   12 years toby fix win restart
(edit) @1167   12 years toby revised update for sandbox
(edit) @1165   12 years toby add path fix to expgui; improve liveplot pdf export speed, remove …
(edit) @1164   12 years toby document rigid body code
(edit) @1163   12 years toby only use shortnames when ~ required
(edit) @1162   12 years toby liveplot: make sure path is updated for tkcon; readexp: anomalous f' & f
(edit) @1160   12 years toby disable autoiconify on Win7
(edit) @1159   12 years toby fix windows errors
(edit) @1158   12 years toby win bug
(edit) @1157   12 years toby liveplot: export to gnuplot; plot I/sigma(I); change title & size of …
(edit) @1152   12 years toby a bit of cleanup
(edit) @1151   12 years toby update documentation missing files
(edit) @1150   12 years toby update documentation
(edit) @1146   12 years lake More work on rigid.tcl
(edit) @1145   12 years lake
(edit) @1144   12 years toby More improvements to magnification regions based on Vince's comments; …
(edit) @1143   12 years toby fix grace export & remove initial line
(edit) @1142   12 years toby Add y-magnification regions to liveplot
(edit) @1141   12 years lake macros added to soft restraints and fix coordinate routines
(edit) @1140   12 years lake Fixes, macros and other goodies
(edit) @1139   12 years lake
(edit) @1138   12 years toby fixes for SetRigidBody? and SetRigidBodyVar?
(edit) @1137   12 years toby change rb.tcl as per CHL request
(edit) @1136   12 years lake
(edit) @1135   12 years lake
(edit) @1134   12 years toby prepare to vary RB multipliers
(edit) @1133   12 years lake Bug fixes: 1 - sorter in Edit Matrix works correctly. 2 - the last …
(edit) @1132   12 years lake improved sort routine in edit matrix window
(edit) @1131   12 years lake Rigid.tcl, expgui, addcmds.tcl and rbimport_cartesian.tcl updates. …
(edit) @1130   12 years toby add labeling to rb plotting
(edit) @1127   12 years toby fix TLS reporting
(edit) @1126   12 years toby
(edit) @1125   12 years toby resolve conflict by returning to CHL last
(edit) @1124   12 years toby remove debug code
(edit) @1123   12 years toby resolve conflict
(edit) @1122   12 years toby resoved diffs w/merge problem
(edit) @1121   12 years toby
(edit) @1120   12 years toby from charles
(edit) @1119   12 years toby conflicted
(edit) @1118   12 years toby
(edit) @1117   12 years toby fail gracefully when DISAGL fails
(edit) @1115   12 years toby scan .EXP files for GENLES blowups; update web pages
(edit) @1114   12 years toby more RB capability
(edit) @1112   12 years toby fix save as bug, expand rb.tcl to delete & handle gaps in body lists; …
(edit) @1111   12 years toby work in progress add plotting, error on rb/phase plot
(edit) @1110   12 years toby fix save as
(edit) @1109   12 years toby recent changes: fix coordinates, rb start
(edit) @1108   12 years toby relabel xform atoms; more RB stuff
(edit) @1107   12 years toby fix rb bugs: ReadRigidBody? needs nested list & SetRigidBody? writes …
(edit) @1106   12 years toby more fixes to validreal for small nums; add more RB control routines
(edit) @1104   12 years toby for new .EXP files, bring users to the histogram or phase panels, as …
(edit) @1103   12 years toby add note on possible origin 1 settings
(edit) @1102   12 years toby make rb tcl8.4 compatible
(edit) @1101   12 years toby new routines for RB editing, more to come
(edit) @1100   12 years toby fix RB
(edit) @1098   12 years toby add z-matrix conversion
(edit) @1036   12 years toby fix bug on replace atoms; clean up loading/creation of exp files; add …
(edit) @1032   12 years toby fix creation of soft constr histogram
(edit) @1031   12 years toby more changes to buttons
(edit) @1030   12 years toby add delta-d/d & manual zoom to widplt; distrest & distagledit: remove …
(edit) @1029   12 years toby fix FWHM calc
(edit) @1027   12 years chlake Added standard uncertainties, Dmax filter and fixed a few bugs.
(edit) @1026   12 years toby put formatSU in common area
(edit) @1024   12 years chlake Added Mouse Scroll Wheel Focus
(edit) @1023   12 years chlake minor modifications
(edit) @1022   12 years chlake Raised window for geo viewer and added Grab release commands to disagledit
(edit) @1021   12 years chlake add disagl edit & viewer
(edit) @1020   12 years toby fix string to work with older Tcl/Tk?
(edit) @1019   12 years toby Fix Save as bug
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