Discover @igor-1982 Open Source projects

@igor-1982

igor-1982

Stars
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Global Rank 266,236 (Top 10 %)
Followers 31
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Registered almost 7 years ago
Most used languages

Rust
57.1 %

DIGITAL Command Language 14.3 %

Python
14.3 %

Shell
14.3 %

rest

xDH4Gau

A python script to obtain XYG3-type doubly hybrid (xDH) results using the standard Gaussian xx package (xx=03, 09 and/or 16)

rest_tensors

rest_workspace

Batch_Config

To perform a batch of electronic-structure calculations accordingly using different packages (Gaussian, Q-Chem, and FHI-aims).

DIGITAL Command Language

rust-libcint

rest_libcint

The wrappers to libcint (C), used in the Rust-based Electronic-Structure Tool (REST)