Issues · elsi_project

Add DFTB+ Benchmarks to Test Set

elsi_benchmark#16 · opened Dec 01, 2018 by Victor Yu
- 0
updated Dec 01, 2018
Convert All Atomic Coordinates to Cartesian

elsi_benchmark#15 · opened Dec 01, 2018 by Victor Yu
- 0
updated Sep 03, 2020
Add LICENSE

elsi_benchmark#14 · opened Nov 29, 2018 by Victor Yu
- 1
updated Sep 03, 2020
Time X SCF Steps or Time to Self-Consistency?

elsi_benchmark#13 · opened Jul 20, 2017 by Victor Yu Settings
- 0
updated Jul 20, 2017
Identify Gaps in Material Coverage

elsi_benchmark#12 · opened Jul 20, 2017 by Victor Yu Enhancement!
- 0
updated Jul 20, 2017
Add (10,0) and (20,20) SWCNT (from BerkleyGW Benchmark) to Test Set

elsi_benchmark#11 · opened Jul 20, 2017 by Victor Yu New Material
- 0
updated Jul 20, 2017
Add Polyacetylene To Test Set

elsi_benchmark#10 · opened Jul 20, 2017 by Victor Yu New Material
- 0
updated Jul 20, 2017
Add West Benchmarks to Test Set

elsi_benchmark#8 · opened Jul 20, 2017 by Victor Yu New Material
- 1
updated Dec 01, 2018
Add Quantum Espresso Benchmarks to Test Set

elsi_benchmark#7 · opened Jul 20, 2017 by Victor Yu New Material
- 1
updated Jul 20, 2017
Add (More) PEXSI Benchmarks to Test Set

elsi_benchmark#6 · opened Jul 20, 2017 by Victor Yu New Material
- 0
updated Jul 20, 2017
Add FHI-aims and ELPA Benchmarks to Test Set

elsi_benchmark#3 · opened Jul 20, 2017 by Victor Yu New Material
- 1
updated Nov 29, 2018
Containing geometry information for the sparse patterns

elsi_interface#44 · opened Jun 08, 2020 by Victor Yu
- 0
updated Jun 08, 2020
PEXSI complex inertia counting fails randomly

elsi_interface#41 · opened Nov 15, 2019 by Victor Yu
- 0
updated Nov 15, 2019