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casm super --duper bad lexical cast #342

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jli5373 opened this issue Nov 30, 2023 · 0 comments
Open

casm super --duper bad lexical cast #342

jli5373 opened this issue Nov 30, 2023 · 0 comments

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@jli5373
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jli5373 commented Nov 30, 2023

I'm attempting to use casm super --duper --confignames to generate an appropriate supercell for Monte Carlo.
casm super --duper --confignames 'SCEL2_2_1_1_0_1_1/1' 'SCEL4_4_1_1_0_1_3/4'
returns an error of

-- Error: In traits<Supercell>::name_compare -- 
A: SCEL4_4_1_1_0_2_0.4
B: SCEL4_4_1_1_0_2_3
bad lexical cast: source type value could not be interpreted as target
Uncaught exception: 
std::exception

I think there's a string matching issue in the code somewhere cause it only errors out when I include the the configuration "SCEL4_4_1_1_0_1_3/0". (the configurations SCEL4_4_1_1_0_2_3/* are also in my project). I tried including other SCEL4* supercells from my project and casm super works just fine for those.

This bug shows up on both the conda version and source versions of 1.2X. I've attached my template casm project below.

casm_super_bug_project.tar.gz

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