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C++

ExchCXX

Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++

C++Emerging

Stars

28

Forks

25

Contributors

8

Last push

7d ago

Recent commits

Latest commits.

Fix Windows build compatibility (MSVC cl.exe and clang-cl) (#53)
67be5c6Loris Ercole7d ago
Fix comment: short-range HF coefficient is alpha + beta, not alpha - beta (#48)
de32328Copilot5mo ago
[SYCL] Replace printf with syclex::printf for device-side (#45)
aa5bc87Abhishek Bagusetty9mo ago
[SYCL] Sync SYCL with latest CUDA backend (#44)
74a914bAbhishek Bagusetty9mo ago
Release 1.0. Includes Microsoft Contributions (#43)
bd50b73David Williams-Young11mo ago

[cmake] use shallow clone for FetchContent'ing libxc (#42)

151a3c6Eduard Valeyev15mo ago

Add M06-2X and PKZB Implementations (#41)

f932a1bDavid Williams-Young18mo ago

Add EXCHCXX_ENABLE_LIBXC option to disable LibXC backend on request

cfe5eafDavid Williams-Young19mo ago

Top contributors

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