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quick update raritan
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kfgarrity committed Nov 6, 2023
1 parent 4953ed7 commit f0ecf21
Showing 1 changed file with 7 additions and 4 deletions.
11 changes: 7 additions & 4 deletions reference_structures/ternary/summ.jl
Original file line number Diff line number Diff line change
@@ -1,15 +1,16 @@
using ThreeBodyTB

set_units(both="atomic")
d = readdir("/home/kfg/codes/jarvis_test/tern_7_12")
d = readdir("/home/kfg/codes/jarvis_test/tern_1_6")

for line in d
# println(line)
# try
#sp = split(line)
# sp2 = split(line, "/")
# println(sp)
c = makecrys("/home/kfg/codes/jarvis_test/tern_7_12/$line")
try
c = makecrys("/home/kfg/codes/jarvis_test/tern_1_6/$line")
dict = Dict()
for t in c.types
if !(t in keys(dict))
Expand All @@ -24,8 +25,10 @@ for line in d
st2 *= "$k "
end

println("/home/kfg/codes/jarvis_test/tern_7_12/"*line ," ", line, " " , st , " $(c.nat) " , st2)

println("/home/kfg/codes/jarvis_test/tern_1_6/"*line ," ", line, " " , st , " $(c.nat) " , st2)
catch
# println("skip $line")
end
# cs = Set(c.stypes)
# for cc in cs
# ind = c.stypes .!= cc
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