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Hi Josh,
Sorry me again! In your /examples/real-time.py you have
plt.plot(rt.time,np.asarray(rt.shape)*rt.field,label='Applied field')
however, at some point you've removed the
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I found that tuning omega in the range separated functionals in TDDFT will give different results compared to Gaussian16 (and Qchem). I tried two functionals wB97XD and cam-b3lyp.
I use pyscf 1.7…
jjren updated
4 years ago
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When I try to run the program with Gaussian16 I get the following `pysis.log` file:
```
d8b 888
Y8P …
O2-AC updated
4 years ago
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Currently, cclib has support for Gaussian03 and Gaussian09. With the release of Gaussian16, it would be ideal to add g16 functionality to cclib. I have attached two sample g16 log files. From prior co…