CFEL-CMI / CFEL-CMI/cminject

Error on maxwel

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#18 0 comments 0 reactions 0 assignees View on GitHub
Dominant language
Python
Stars
4
Forks
4
PR merge metrics
No merged PRs in 30d

Description

See the error when run:
./cminject.sh \
-n 1 \
-D 3 \
--x 0 \
--y 0 \
--z 0 \
--vx 0 \
--vy 0 \
--vz 1860 \
--m 1.412436264e-25 \
--J D[0,0] \
--M D[0,0] \
-t 0 2e-3 \
--dt 1e-6 \
-s test/pyrrole.molecule \
-e test/example_field.h5 \
-o output/pyrrole.h5 \
--Boundaries S[0,0,0.065,0.0015,0.002] \
S[0,0,0.30172,0.00075,0.002] \
C[-0.00198571,0.00198571,-0.00398571,0.00198571,0.34572,0.49972,0.002] \
-d 0.71247 \
--Solver RK4

Screenshot 2023-12-18 at 13 42 13

Contributor guide

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Research direction

Reproduce the command from cminject.sh using test/pyrrole.molecule and test/example_field.h5, and inspect the reported error in the linked issue screenshot. Trace the failing execution path and confirm the command completes successfully while producing output/pyrrole.h5.

Written by the indexing model from the issue text.

Assessment

Tech stack
python, shell
Domain
backend
Issue type
Bug
Difficulty
4/5
Estimated time
3-5 days
Activity status
Stale
Clarity
Needs clarification
Newbie friendliness
20/100

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