Releases: goodluck1982/SpaceGroupIrep
v1.0.4
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
Add new functions:
kBCcoord, getSGElem, LGIRtwokRelation, getFullRepMat, getSGIrepMat, checkSGIrep
Fix bugs in:
formatRepMat, getRepMat, showSGIrepTab, readPOSCAR, identifyBCHSKptBySG
v1.0.2
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
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
Update README.md