Changeset 2486 for trunk/ElementTable.py


Ignore:
Timestamp:
Oct 12, 2016 1:06:57 PM (5 years ago)
Author:
vondreele
Message:

fix mag form factor lookup - some aren't chemical valences (e.g. Fe+4)
fix mag form factor periodic table - nonmagnetic atoms now not shown
fix powder reflection mark & diff curve placement issues
fix issues with mag structure drawings - fill unit cell, etc.
fix structure transform to make magnetic cells (still needs making of constraints)
fix problem of mustrain & hstrain coeff changes with change in space group
add print to file of covariance matrix - user request
fix magnetic moment site symmetry restrictions
work on mag structure factor calcs.
change EXP file importer to ignore magnetic symmetry from GSAS

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/ElementTable.py

    r1589 r2486  
    123123    (["None",],                  15.5,7.5, "No element choice",REcolor,     0.000,(161,54,212)),
    124124    ]
     125
     126MagElTable = [
     127    (["Sc","Sc+1","Sc+2","Sc+3"],                       2,3, "Scandium",    Metcolor,        0.0410,(230,230,230)),
     128    (["Ti","Ti+2","Ti+3"],                              3,3, "Titanium",    Metcolor,        0.0460,(191,194,199)),
     129    (["V","V+1","V+2","V+3"],                           4,3, "Vanadium",    Metcolor,        0.0510,(166,166,171)),
     130    (["Cr","Cr+1","Cr+2","Cr+3","Cr+4"],                5,3, "Chromium",    Metcolor,        0.0560,(138,153,199)),
     131    (["Mn","Mn+1","Mn+2","Mn+3","Mn+4"],                6,3, "Manganese",   Metcolor,        0.0616,(156,122,199)),
     132    (["Fe","Fe+1","Fe+2","Fe+3","Fe+4"],                7,3, "Iron",        Metcolor,        0.0680,(224,102,51)),
     133    (["Co","Co+1","Co+2","Co+3","Co+4"],                8,3, "Cobalt",      Metcolor,        0.0740,(240,144,160)),
     134    (["Ni","Ni+1","Ni+2","Ni+3","Ni+4"],                9,3, "Nickel",      Metcolor,        0.0815,(80,208,80)),
     135    (["Cu","Cu+1","Cu+2","Cu+3","Cu+4"],               10,3, "Copper",      Metcolor,        0.0878,(200,128,51)),
     136    (["Y"],                                             2,4, "Yittrium",    Metcolor,         0.180,(148,255,255)),
     137    (["Zr","Zr+1"],                                     3,4, "Zirconium",   Metcolor,         0.192,(148,224,224)),
     138    (["Nb","Nb+1"],                                     4,4, "Niobium",     Metcolor,         0.204,(115,194,201)),
     139    (["Mo","Mo+1"],                                     5,4, "Molybdenium", Metcolor,         0.216,(84,181,181)),
     140    (["Tc","Tc+1"],                                     6,4, "Technetium",  Metcolor,         0.228,(59,158,158)),
     141    (["Ru","Ru+1"],                                     7,4, "Ruthenium",   Metcolor,         0.246,(36,143,143)),
     142    (["Rh","Rh+1"],                                     8,4, "Rhodium",     Metcolor,         0.258,(10,125,140)),
     143    (["Pd","Pd+1"],                                     9,4, "Palladium",   Metcolor,         0.270,(0,105,133)),
     144    (["Ce+2"],                                      3.5,6.5, "Cerium",      REcolor,          0.474,(255,255,199)),
     145    (["Nd+2"],                                      5.5,6.5, "Neodymium",   REcolor,          0.516,(199,255,199)),
     146    (["Sm+2","Sm+3"],                               7.5,6.5, "Samarium",    REcolor,          0.558,(143,255,199)),
     147    (["Eu+2","Eu+3"],                               8.5,6.5, "Europium",    REcolor,          0.582,(97,255,199)),
     148    (["Gd+2","Gd+3"],                               9.5,6.5, "Gadolinium",  REcolor,          0.610,(69,255,199)),
     149    (["Tb+2","Tb+3"],                              10.5,6.5, "Terbium",     REcolor,          0.624,(48,255,199)),
     150    (["Dy+2","Dy+3"],                              11.5,6.5, "Dysprosium",  REcolor,          0.648,(31,255,199)),
     151    (["Ho+2","Ho+3"],                              12.5,6.5, "Holmium",     REcolor,          0.672,(0,255,156)),
     152    (["Er+2","Er+3"],                              13.5,6.5, "Erbium",      REcolor,          0.696,(0,230,117)),
     153    (["Tm+2","Tm+3"],                              14.5,6.5, "Thulium",     REcolor,          0.723,(0,212,82)),
     154    (["Yb+2","Yb+3"],                              15.5,6.5, "Ytterbium",   REcolor,          0.750,(0,191,56)),
     155    (["U+3","U+4","U+5"],                           5.5,7.5, "Uranium",     REcolor,          1.470,(0,143,255)),
     156    (["Np+3","Np+4","Np+5","Np+6"],                 6.5,7.5, "Neptunium",   REcolor,       1.536,(0,128,255)),
     157    (["Pu+3","Pu+4","Pu+5","Pu+6"],                 7.5,7.5, "Plutonium",   REcolor,       1.584,(0,107,255)),
     158    (["Am+2","Am+3","Am+4","Am+5","Am+6","Am+7"],   8.5,7.5, "Americium",   REcolor,          1.626,(84,92,242)),
     159    ]
Note: See TracChangeset for help on using the changeset viewer.