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nwchemgit
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nwchem
NWChem: Open Source High-Performance Computational Chemistry
http://nwchemgit.github.io
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backport master update for property
#923
edoapra
closed
9 months ago
0
updates
#922
edoapra
closed
9 months ago
0
python updates backported from master
#921
edoapra
closed
9 months ago
0
github action updates
#920
edoapra
closed
9 months ago
0
fix python lint failures
#919
edoapra
closed
10 months ago
0
Updates
#918
edoapra
closed
10 months ago
0
Compilation 7.2.2 with gfortran or ifort
#917
koroki
closed
10 months ago
3
makefile updates
#916
edoapra
closed
10 months ago
0
updates from master
#915
edoapra
closed
10 months ago
0
fixes for OpenBLAS and simd check
#914
edoapra
closed
10 months ago
0
Bug fix in x2c
#913
dmejiar
closed
10 months ago
1
Add Intel Xe Max Support for the CCSD module
#912
omarkahmed
closed
10 months ago
16
more OpenBLAS updates
#911
edoapra
closed
10 months ago
0
added check for OpenBLAS threaded with OpenMP
#910
edoapra
closed
10 months ago
0
Updates
#909
edoapra
closed
10 months ago
0
OPENBLAS_USES_OPENMP variable to handle OpenBLAS threaded with OpenMP
#908
edoapra
closed
11 months ago
0
updates
#907
edoapra
closed
11 months ago
0
simplify code for e+=T2*V2
#906
jeffhammond
closed
11 months ago
0
Support build with unbundled libraries
#904
marcindulak
closed
11 months ago
1
Run make clean without options/environment variables
#903
marcindulak
closed
1 month ago
2
7.2.2
#902
edoapra
closed
11 months ago
0
32-bit integer updates
#901
edoapra
closed
11 months ago
0
update to fix 32-bit integers' issues on big endian architectures
#900
edoapra
closed
11 months ago
0
scalapack: fix for 32-bit integers
#899
edoapra
closed
11 months ago
0
scalapack: fix for 32-bit integers
#898
edoapra
closed
11 months ago
0
updates from master
#897
edoapra
closed
11 months ago
0
64_to_32 updates
#896
edoapra
closed
11 months ago
0
7.2.1: a few tests fail with mpich during a fedora build
#895
marcindulak
closed
11 months ago
11
updates
#894
edoapra
closed
11 months ago
0
compilation updates
#893
edoapra
closed
11 months ago
0
pyqa3: Segmentation fault on Python 3.12
#892
marcindulak
closed
11 months ago
7
update
#891
edoapra
closed
11 months ago
0
update
#890
edoapra
closed
11 months ago
0
7.2.1 versioning
#889
edoapra
closed
11 months ago
0
more flang-17 updates
#888
edoapra
closed
11 months ago
0
Flang 17
#887
jeffhammond
closed
11 months ago
3
updates for flang-new-17
#886
edoapra
closed
11 months ago
0
python updates
#885
edoapra
closed
12 months ago
0
python 3 fixes
#884
edoapra
closed
12 months ago
0
updates from master
#883
edoapra
closed
1 year ago
0
CCSD T2_8 w/ just DGEMM
#882
jeffhammond
closed
12 months ago
11
updates
#881
edoapra
closed
1 year ago
0
one more update from master
#880
edoapra
closed
1 year ago
0
more bug fixes from master
#879
edoapra
closed
1 year ago
0
github actions updates
#878
edoapra
closed
1 year ago
0
more updates from master
#877
edoapra
closed
1 year ago
0
intel 2023.2.1
#876
edoapra
closed
1 year ago
0
QA & testing updates
#875
edoapra
closed
1 year ago
0
QA update
#874
edoapra
closed
1 year ago
0
updates from master
#873
edoapra
closed
1 year ago
0
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