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Questions Tagged with "computer arithmetic"

Explore solved questions tagged with "computer arithmetic" or help others by answering their unsolved questions related to "computer arithmetic".

How can I detect lost of precision due to rounding in both floating point addition and multiplication?

2 answer

Computational Science Asked 2 years ago

I get this error in Gaussian09 even though I have enough memory. "Error termination in NtrErr: NtrErr called from FIOCnC." Any suggestions?

1 answer

Matter Modeling Asked 2 years ago by QuantumX

Why are single excitations ignored in the MP2 component of double hybrid functional calculations?

1 answer

Matter Modeling Asked 2 years ago

Regarding oscillatory strength theoretical units to experimental ones

1 answer

Matter Modeling Asked 2 years ago

How well can we model chemical synthesis?

3 answer

Matter Modeling Asked 2 years ago by Anyon

Is it required to sample the full reaction coordinate in umbrella sampling?

1 answer

Matter Modeling Asked 2 years ago by BND

How to find good universities for matter modeling?

1 answer

Matter Modeling Asked 2 years ago

What does the Neighbor command do in LAMMPS?

1 answer

Matter Modeling Asked 2 years ago

For software that does not support FCIDUMP format, what format is used and how can we get the software to interact with FCIDUMP integrals?

2 answer

Matter Modeling Asked 2 years ago

How do the various programs read or write integrals in FCIDUMP format?

1 answer

Matter Modeling Asked 2 years ago

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