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531,968 Commits 199 Branches 125 Tags 8.6 GiB
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5 Commits

Author SHA1 Message Date
Markus Kowalewski
f1b44ffc1c nwchem: remove test jobs from output 
The tests are not needed to run the program.
Removing the tests saves about 220 MB.
 2023-09-30 16:15:37 +02:00
Markus Kowalewski
1534b6768e nwchem: use mpiCheckPhaseHook 2023-08-22 23:27:47 +02:00
Markus Kowalewski
d6b6fd9544
nwchem: enable new features (dftd3, libxc, plumed) 2023-05-08 14:24:07 +02:00
Markus Kowalewski
621e086136 nwchem: 7.0.2 -> 7.2.0 2023-05-05 12:43:59 +02:00
Phillip Seeber
0079d43275 nwchem: init at 7.0.2 2023-02-07 10:40:14 +01:00