ebylaska / PWDFT

Plane-Wave density-functional theory (DFT) development for NWChemEx electronic structure software

ebylaska/PWDFT Issues

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Updated 3 months ago
Missing Functions in SYCL
Closed 6 months ago
RunTime errors when I test band code in Sunspot
Updated 6 months ago
Permanent directory not working correctly?
Updated 3 years ago
Bug in writing out semicore densities in vpp_write in Pseudopotential.cpp
Updated 3 years ago1
PWDFT/QA/C2_steepest_descent failure
Closed 3 years ago4
Performance of OpenCl tn3matmul is low for large npack.
Updated 4 years ago
Semicore density is failing for Cu
Closed 4 years ago3
adding "chargeCharge keyword causing code to crash
Closed 4 years ago1
adding "charge" keyword causing code to crash
Closed 4 years ago1
VNL=0 during restart
Closed 4 years ago1
Add vpp generation
Closed 4 years ago