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delete the check isinstance(calc, BaseCalculator) in the Mixer class 1 of 3 checklist items completed!3187
- Merged
- 1
updated -
!3186
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!3185
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Ensure SCF convergence for test case 3 of 3 checklist items completed!3184
- Merged
- 3
updated -
espresso: write and read functions for ph.x 2 of 3 checklist items completed!3183
- Merged
- 11
updated -
ONETEP interface: performance and various bug fixes 2 of 3 checklist items completed!3182
- Merged
- 13
- 1
updated -
Minor change on espresso.io to allow Path object 0 of 3 checklist items completed!3181
- Merged
- 3
updated -
!3180
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Minor changes to io/espresso 1 of 2 checklist items completed!3179
- Merged
- 7
- 1
updated -
!3178
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fixed local order calculation 2 of 3 checklist items completed!3177
- Merged
- 1
updated -
fix name of the configfile 0 of 3 checklist items completed!3176
- Merged
- 3
updated -
reestablish previous DFTD3 command behaviour 0 of 3 checklist items completed!3175updated
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Fix mopac test 0 of 3 checklist items completed!3173
- Merged
- 1
updated -
BUG: Fix #1382 1 of 3 checklist items completed!3172
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- Merged
- 5
- Approved
updated -
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speed up tests from 7s to 2.2s 0 of 3 checklist items completed!3169
- Merged
- 1
updated -
Correct the lammps-data and CIF readers to parse lines with comments 3 of 3 checklist items completed!3168
- Merged
- 1
updated