source: trunk/GSASIIElem.py

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Diff Rev Age Author Log Message
(edit) @4659   11 months toby extensive Origin 1->2 updates; merge SetupGeneral? into a single …
(edit) @4629   12 months vondreele GetXsectionCoeff? - remove a 'U' from an open - deprecated close infile …
(edit) @4254   22 months vondreele more RMCProfile setup stuff added
(edit) @3786   3 years vondreele fix problem of import ElementTable? inside spyder allow import o …
(edit) @3605   3 years vondreele fix bug in neutron resonant form factor calculation
(edit) @3295   4 years vondreele remove superfluous calls to SpcGroup? after SGData has been defined add …
(edit) @3191   4 years vondreele fix integer divides in responding to unit cell changes on Unit Cells …
(edit) @3164   4 years vondreele fix neutron resonant scattering factor calcs. - neglected constant …
(edit) @3136   4 years vondreele make GSAS-II python 3.6 compliant & preserve python 2.7 use;changes: …
(edit) @2563   5 years vondreele Speed up image integration on Mac by reducing ProgressBar? calls from …
(edit) @2546   5 years vondreele cleanup of all GSASII main routines - remove unused variables, dead …
(edit) @2492   5 years vondreele fix handling of Lande g factor fix Mag structure factor calcs - now OK …
(edit) @2486   5 years vondreele fix mag form factor lookup - some aren't chemical valences (e.g. Fe+4) …
(edit) @2478   5 years vondreele work up to magnetic structure factor calcs.
(edit) @2473   5 years vondreele work on magnetic structures - import from EXP, plotting, LS refine …
(edit) @1589   7 years toby 2 bugs: import phase w/invalid element; prevent 3 overlapped buttons …
(edit) @1453   7 years vondreele get HKLF data type into RefDict? create a SetDefaultDData routine in …
(edit) @1428   7 years vondreele fixes to element stuff cleanout old parametric fitting files
(edit) @1413   7 years toby Add config support; default expressions
(edit) @1392   7 years vondreele Speedup GetTthAzmDsp? - ~40% improvement add size item to UpdateImageData?
(edit) @1391   7 years vondreele remove stray prints Breit-Wigner & Lynn & Seeger neutron anomalous …
(edit) @1365   7 years vondreele fix atmdata.py for Rh (& other anomalous b isotopes) fix powder …
(edit) @1364   7 years vondreele read TOPAZ structure factor files
(edit) @1362   7 years vondreele mag form factors now modernized; atmdata.dat no longer needed in GSAS-II
(edit) @1360   7 years vondreele add SRM660b to ImageCalibrants?.py revamp element stuff to use …
(edit) @1295   8 years vondreele disable plotting while multiple PWDR & SASD data sets are imported - …
(edit) @1125   8 years vondreele StructureFactor2 does SF calculation for entire block of reflection - …
(edit) @967   8 years vondreele periodic table
(edit) @942   8 years vondreele mods for MC/SA: moved scat fac routines from GSASIIstrIO.py & …
(edit) @939   8 years toby fix & cleanup unit tests; add/change doc strings for sphinx; add all …
(edit) @881   9 years vondreele more RB editing & fixes '+0' & '-0' (vice versa) removed from any cif …
(edit) @850   9 years vondreele fix problem with atoms with An+ style of valence more places for size …
(edit) @762   9 years toby update py files to use native line ends, add update from svn to help …
(edit) @661   9 years toby complete revision number tracking
(edit) @642   9 years vondreele add CheckElement?
(edit) @584   9 years vondreele add coding line everywhere more options in sample parm copy
(edit) @489   10 years vondreele fix to speed up scat fac calculations & skip texture calcs if order=0
(edit) @484   10 years vondreele change authorship split GSASIIelem into a GUI & non-GUI parts replace …
(edit) @456   10 years toby determine path to GSAS files from file; trap & reset focus for …
(edit) @411   10 years vondreele fix very old (!) bug in psvfcj.for implement neutron scattering …
(edit) @409   10 years vondreele make it do CW neutrons - 1st pass at it
(edit) @380   10 years vondreele completed Rietveld refinement version
(edit) @327   10 years vondreele fix to path name for atomdata.dat fix to texture display - can't have …
(edit) @291   10 years jemian added first documentation using sphinx
(edit) @265   11 years vondreele further progress on implementing pdf calculations optionally put …
(edit) @264   11 years vondreele begin implementation of pdf generation - work in progress modify image …
(edit) @230   11 years vondreele add svn keywords & add log intensity plotting
(edit) @166   11 years vondreele fixups of atom editing/atom drawing
(edit) @155   11 years vondreele changes for structure drawing
(edit) @153   11 years vondreel GetAtomColors? & GetElemColor? now deleted
(edit) @151   11 years vondreel removed ElTable? - now in own ElementTable?.py file, removed …
(edit) @141   11 years vondreel fix path reference for atmdata.dat, etc.
(edit) @83   11 years vondreel further splits of G2gd --> GSASIIphsGUI.py & GSASIIimgGUI.py Modify …
(add) @10   12 years vondreel
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