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left over "if" caused wrong coordinate systems for hex

This commit is contained in:
Martin Diehl 2018-12-14 06:39:49 +01:00
parent 4edaab6da6
commit 25bd6faf7c
1 changed files with 0 additions and 3 deletions
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src/lattice.f90
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@ -2657,12 +2657,9 @@ function buildCoordinateSystem(active,complete,system,structure,cOverA)
normal = system(4:6,c)
case ('hex')
if (cOverA < 1.0_pReal .or. cOverA > 2.0_pReal) &
direction = [ system(1,c)*1.5_pReal, &
(system(1,c)+2.0_pReal*system(2,c))*sqrt(0.75_pReal), &
system(4,c)*cOverA ] ! direction [uvtw]->[3u/2 (u+2v)*sqrt(3)/2 w*(c/a)])
normal = [ system(5,c), &
(system(5,c)+2.0_pReal*system(6,c))/sqrt(3.0_pReal), &
system(8,c)/cOverA ] ! plane (hkil)->(h (h+2k)/sqrt(3) l/(c/a))