source: branches/sandbox

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Diff Rev Age Author Log Message
(edit) @1217   8 years toby update sandbox docs
(edit) @1216   8 years toby bring proxy support back to sandbox
(edit) @1215   8 years toby Split restraints & constraints; add compositional (chemical) constraint
(edit) @1214   8 years lake fixed the euler angle - origin mixup. Damping factors now work …
(edit) @1213   8 years toby routine for chemical restraint added (ChemConst?)
(edit) @1212   8 years lake
(edit) @1211   8 years toby manage abs constraints; changes to support MakeHistBox? in dialog
(edit) @1210   8 years lake new toys in the rigid body code (rigid.tcl). (1) - displays and allows …
(edit) @1209   8 years toby start on Fourier calc and absorption constraints
(edit) @1208   8 years toby Add routines for Fourier map access
(edit) @1207   8 years lake fixed the variable number reader in the rigid body code.
(edit) @1206   9 years lake
(edit) @1205   9 years lake
(edit) @1204   9 years toby f' & f" editor; import z-mat change is unclear
Diff Rev Age Author Log Message
(edit) @1189   9 years toby fix bug in releasing fixed atoms; finish interface for fixed parms in …
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(edit) @1187   9 years toby bug in RB_Ref_FlagEnable
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(edit) @1185   9 years toby liveplot: plottitle opts, bkgedit: match to liveplot, add update after …
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(edit) @1183   9 years toby make hist file on plot a saved toggle option
(edit) @1182   9 years toby bug fixes: dummy hist: disable CIF read; remove default phase when …
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(edit) @1180   9 years toby liveplot updates for Topas, etc.
(edit) @1179   9 years toby add TOPAS import to liveplot
(edit) @1178   9 years toby add log(I) option to liveplot: request from Ling Yang
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(edit) @1176   9 years toby fix missing scale factor record
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(edit) @1174   9 years toby Revise routine for loading rbimport_*.tcl files; update MacroRecord? …
(edit) @1173   9 years toby fix RB where atoms are missing in sequence; turn of X flag when atoms …
(edit) @1172   9 years toby fix/enhance rigid bodies some
(edit) @1171   9 years lake fixed the library issue
(edit) @1170   9 years toby add msg on update
(edit) @1169   9 years toby fix revised update for sandbox
(edit) @1168   9 years toby fix win restart
(edit) @1167   9 years toby revised update for sandbox
Diff Rev Age Author Log Message
(edit) @1165   9 years toby add path fix to expgui; improve liveplot pdf export speed, remove …
(edit) @1164   9 years toby document rigid body code
(edit) @1163   9 years toby only use shortnames when ~ required
(edit) @1162   9 years toby liveplot: make sure path is updated for tkcon; readexp: anomalous f' & f
Diff Rev Age Author Log Message
(edit) @1160   10 years toby disable autoiconify on Win7
(edit) @1159   10 years toby fix windows errors
(edit) @1158   10 years toby win bug
(edit) @1157   10 years toby liveplot: export to gnuplot; plot I/sigma(I); change title & size of …
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(edit) @1152   10 years toby a bit of cleanup
(edit) @1151   10 years toby update documentation missing files
(edit) @1150   10 years toby update documentation
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(edit) @1146   10 years lake More work on rigid.tcl
(edit) @1145   10 years lake
(edit) @1144   10 years toby More improvements to magnification regions based on Vince's comments; …
(edit) @1143   10 years toby fix grace export & remove initial line
(edit) @1142   10 years toby Add y-magnification regions to liveplot
(edit) @1141   10 years lake macros added to soft restraints and fix coordinate routines
(edit) @1140   10 years lake Fixes, macros and other goodies
(edit) @1139   10 years lake
(edit) @1138   10 years toby fixes for SetRigidBody? and SetRigidBodyVar?
(edit) @1137   10 years toby change rb.tcl as per CHL request
(edit) @1136   10 years lake
(edit) @1135   10 years lake
(edit) @1134   10 years toby prepare to vary RB multipliers
(edit) @1133   10 years lake Bug fixes: 1 - sorter in Edit Matrix works correctly. 2 - the last …
(edit) @1132   10 years lake improved sort routine in edit matrix window
(edit) @1131   10 years lake Rigid.tcl, expgui, addcmds.tcl and rbimport_cartesian.tcl updates. …
(edit) @1130   10 years toby add labeling to rb plotting
Diff Rev Age Author Log Message
(edit) @1127   10 years toby fix TLS reporting
(edit) @1126   10 years toby
(edit) @1125   10 years toby resolve conflict by returning to CHL last
(edit) @1124   10 years toby remove debug code
(edit) @1123   10 years toby resolve conflict
(edit) @1122   10 years toby resoved diffs w/merge problem
(edit) @1121   10 years toby
(edit) @1120   10 years toby from charles
(edit) @1119   10 years toby conflicted
(edit) @1118   10 years toby
(edit) @1117   10 years toby fail gracefully when DISAGL fails
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(edit) @1115   10 years toby scan .EXP files for GENLES blowups; update web pages
(edit) @1114   10 years toby more RB capability
Diff Rev Age Author Log Message
(edit) @1112   10 years toby fix save as bug, expand rb.tcl to delete & handle gaps in body lists; …
(edit) @1111   10 years toby work in progress add plotting, error on rb/phase plot
(edit) @1110   10 years toby fix save as
(edit) @1109   10 years toby recent changes: fix coordinates, rb start
(edit) @1108   10 years toby relabel xform atoms; more RB stuff
(edit) @1107   10 years toby fix rb bugs: ReadRigidBody? needs nested list & SetRigidBody? writes …
(edit) @1106   10 years toby more fixes to validreal for small nums; add more RB control routines
Diff Rev Age Author Log Message
(edit) @1104   10 years toby for new .EXP files, bring users to the histogram or phase panels, as …
(edit) @1103   10 years toby add note on possible origin 1 settings
(edit) @1102   10 years toby make rb tcl8.4 compatible
(edit) @1101   10 years toby new routines for RB editing, more to come
(edit) @1100   10 years toby fix RB
Diff Rev Age Author Log Message
(edit) @1098   10 years toby add z-matrix conversion
Diff Rev Age Author Log Message
(edit) @1036   10 years toby fix bug on replace atoms; clean up loading/creation of exp files; add …
Diff Rev Age Author Log Message
(edit) @1032   10 years toby fix creation of soft constr histogram
(edit) @1031   10 years toby more changes to buttons
(edit) @1030   10 years toby add delta-d/d & manual zoom to widplt; distrest & distagledit: remove …
(edit) @1029   10 years toby fix FWHM calc
Diff Rev Age Author Log Message
(edit) @1027   10 years chlake Added standard uncertainties, Dmax filter and fixed a few bugs.
(edit) @1026   10 years toby put formatSU in common area
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