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Releases: goodluck1982/SpaceGroupIrep

v1.0.4

11 Nov 14:58
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Add new functions:
  SGSymTextBC, SGSymBC, BCOrientation, showSGSym, mapLGIrepLabel

Change:
  1. SGIrepDirectProduct and showSGIrepDirectProduct can use kname for
     high-symmetry point (not line).
  2. Now, autoConvTraceToBC returns the same data structure as convTraceToBC
     by default. The old return format can be obtained by using the option
     "cellData"->True.
  3. Redefine seteq, and add option SameTest.

Bug fix:
  Bugs related to the "F" point of "TrigPrim" in getLGIrepTab, getSGIrepTab,
  and SGIrepDirectProduct.

Add a Chinese version introduction file SpaceGroupIrep程序包说明.docx.

Add an allBCSkLGdat.mx file for Respberry Pi and rename allBCSkLGdat.mx_RespberryPi
to allBCSkLGdat.mx on Respberry Pi platform.

v1.0.3

14 Jun 16:59
446dcaf
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Add new functions:
kBCcoord, getSGElem, LGIRtwokRelation, getFullRepMat, getSGIrepMat, checkSGIrep

Fix bugs in:
formatRepMat, getRepMat, showSGIrepTab, readPOSCAR, identifyBCHSKptBySG

v1.0.2

21 May 17:15
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Update abstract group data to fix the typos in the BC book:
S in R7, R8, and R9 for G_{96}^4 and S in R18 for G_{192}^2
Add four functions:
checkAGGenRelations, checkLGIrep, getRepMat, getLGIrepMat

v1.0.1

31 Aug 07:39
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Add function showSeitz and beautify the appearance of showLGIrep etc.

Bug fix and update examples.

RotationMatrix[Pi/2, {1, 1, 0}]//rotAxisAngle works wrongly. Update algorithm, use NullSpace directly.
getLGIrepTab: NumberQ ==> NumericQ
Update formatRepMat. Now it can convert Exp[I Pi(1+u)] to -Exp[I Pi u].
Fix a problem of identifyBCHSKptBySG: identifyBCHSKptBySG[46,"a",{-0.1,-0.4,-0.1}] works wrongly because Rationalize[-0.1,0.1] returns -1/9, not the expected 1/10.

The first release v1.0.0 of SpaceGroupIrep

31 Aug 07:38
f9633a3
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