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ebylaska
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PWDFT
Plane-Wave density-functional theory (DFT) development for NWChemEx electronic structure software
GNU General Public License v3.0
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Add missing LAPACK function for dgesv
#29
omarkahmed
closed
1 day ago
0
Add searchable topic tags
#28
Beliavsky
opened
3 weeks ago
0
Add topic tags
#27
Beliavsky
closed
3 weeks ago
0
RunTime errors when I test band code in Sunspot
#26
rayhe88
opened
8 months ago
0
I added some functions to gdevices_sycl.hpp
#25
rayhe88
opened
9 months ago
0
Missing Functions in SYCL
#24
rayhe88
closed
8 months ago
0
cmake patches for MKL 2024 support & CUDA SM90 support
#23
omarkahmed
closed
1 year ago
0
HIP build fix
#22
abagusetty
closed
1 year ago
0
Fixed HIP builds
#21
abagusetty
closed
1 year ago
1
[SYCL] update SYCL backend to track CUDA
#20
abagusetty
closed
1 year ago
0
Adding Sunspot and place holder for SYCL functions
#19
alvarovm
closed
1 year ago
0
Making dynamic libraries work
#18
wadejong
closed
3 years ago
0
Add hse b3lyp
#17
ebylaska
closed
3 years ago
0
Add pbesol
#16
ebylaska
closed
3 years ago
0
Debug gga
#15
ebylaska
closed
3 years ago
0
Adding gga
#14
ebylaska
closed
3 years ago
0
Permanent directory not working correctly?
#13
ebylaska
opened
3 years ago
0
Eric
#12
ebylaska
closed
3 years ago
0
PWDFT/QA/C2_steepest_descent failure
#11
ebylaska
closed
3 years ago
4
Performance of OpenCl tn3matmul is low for large npack.
#10
ebylaska
opened
4 years ago
0
Bug in writing out semicore densities in vpp_write in Pseudopotential.cpp
#9
ebylaska
opened
4 years ago
1
adding "charge" keyword causing code to crash
#8
ebylaska
closed
4 years ago
1
adding "chargeCharge keyword causing code to crash
#7
ebylaska
closed
4 years ago
1
at least builds using cmake -DBUILD_SHARED_LIBS=True -DCMAKE_CXX_COMP…
#6
Dbross
closed
4 years ago
1
Feature/1 sycl device
#5
abagusetty
closed
1 year ago
1
Semicore density is failing for Cu
#4
ebylaska
closed
4 years ago
3
VNL=0 during restart
#3
ebylaska
closed
4 years ago
1
Feature/0 blas to onemkl
#2
abagusetty
closed
4 years ago
0
Add vpp generation
#1
ebylaska
closed
4 years ago
0