profile the main simulation program

bsonghao / hot-molecule

TFCC approach for thermal vibronic problem

0 stars 0 forks source link

Open bsonghao opened 1 year ago

bsonghao commented 1 year ago

37017870cc6401f043c0b54c7686fa521ac9aea8 implement it

bsonghao commented 1 year ago

The calling of numpy build-in function einsum takes 80% of the total runtime which is expected.