non-periodic orbitals
@wanghan has an application that needs non-periodic orbital.
For that you can still load pyscf coefficient, just needs to write orbial in jax. ref: https://code.itp.ac.cn/wanglei/hydrogen/-/blob/master/src/hf.py
Advanced Computing Platform for Theoretical Physics
@wanghan has an application that needs non-periodic orbital.
For that you can still load pyscf coefficient, just needs to write orbial in jax. ref: https://code.itp.ac.cn/wanglei/hydrogen/-/blob/master/src/hf.py
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