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nwchemgit
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nwchem-dockerfiles
files to create Docker containers
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improve handling of failures
#24
edoapra
closed
2 years ago
0
Multiplatform updates
#23
edoapra
closed
2 years ago
0
Multi-platform updates
#22
edoapra
closed
2 years ago
0
nwchem version 7.0 dockerfile; Lines 7, 54, and 55 need changes
#21
Leticia-maria
closed
2 years ago
4
added helloworld folder to avoid returning an error code
#20
edoapra
closed
2 years ago
0
GitHub actions
#19
edoapra
closed
2 years ago
0
GitHub actions
#18
edoapra
closed
2 years ago
0
GitHub actions
#17
edoapra
closed
2 years ago
0
upload to github action packages
#16
edoapra
closed
2 years ago
0
GitHub actions updates
#15
edoapra
closed
2 years ago
0
GitHub actions
#14
edoapra
closed
2 years ago
0
Fatal error in PMPI_Init: Other MPI error, error stack:
#13
miroi
closed
3 years ago
1
how to run nwchem in docker ?
#12
miroi
closed
2 years ago
1
Program received signal SIGILL: Illegal instruction.
#11
miroi
closed
3 years ago
9
How to run nwchem from the container ? failed to open the input file ....
#10
miroi
closed
3 years ago
2
compiler package name change
#9
rscohn2
closed
3 years ago
1
Is amber gromacs downloaded as a dependency along with NWChem?
#8
anubhav0fnu
closed
4 years ago
4
NWChem 7.0.0 updates
#7
edoapra
closed
4 years ago
0
git update
#6
edoapra
closed
5 years ago
0
svn replaced with git
#5
edoapra
closed
5 years ago
0
git
#4
edoapra
closed
5 years ago
0
replace curl with git
#3
bayesfactor
closed
5 years ago
1
small
#2
bayesfactor
closed
5 years ago
1
dockerhub pull fails
#1
bayesfactor
closed
3 years ago
1
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