awmitch aiida-dakota issues - Githubissues

awmitch / aiida-dakota

AiiDA plugin for Dakota

MIT License

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Create input helper using dakota XML schema

#16 awmitch opened 2 years ago
0
Add to docker container for development environment

#15 awmitch opened 2 years ago
0
Need to change `conv_to_fortran` code to whatever Dakota inputs are

#14 awmitch opened 2 years ago
1
Disable extraneous tests until needed

#13 awmitch opened 2 years ago
0
Refine `/tests/calculations/test_study.py` to execute correctly w/ Dakota

#12 awmitch opened 2 years ago
0
Turn off/disable the CIDI pipeline until useful

#11 awmitch opened 2 years ago
0
Submit a fully configured script to run dakota study calculation

#10 awmitch opened 2 years ago
1
Write logic for `dakota.interfacing` python analysis driver with AiiDA builders

#9 awmitch opened 2 years ago
0
Rewrite header comments for previously QE functions

#8 awmitch opened 2 years ago
0
Write convert_input_to_namelist_entry function for Dakota

#7 awmitch closed 2 years ago
3
Investigate restart folder handling

#6 awmitch opened 2 years ago
1
Parse Dakota xml output

#5 awmitch opened 2 years ago
2
Parse Dakota raw output

#4 awmitch opened 2 years ago
2
List blocked Dakota inputs plugin handles

#3 awmitch opened 2 years ago
0
Define the Dakota input parameters

#2 awmitch opened 2 years ago
6
Write generator for dakota.in configuration file

#1 awmitch opened 2 years ago
4