Closed godotalgorithm closed 1 year ago
Merging #134 (50f6d5e) into main (f0404b1) will increase coverage by
0.21%
. The diff coverage is53.57%
.
@@ Coverage Diff @@
## main #134 +/- ##
==========================================
+ Coverage 66.46% 66.67% +0.21%
==========================================
Files 331 331
Lines 73723 73756 +33
==========================================
+ Hits 49001 49179 +178
+ Misses 24722 24577 -145
Impacted Files | Coverage Δ | |
---|---|---|
src/run_mopac.F90 | 77.74% <ø> (ø) |
|
src/reactions/grid.F90 | 77.64% <12.50%> (-2.12%) |
:arrow_down: |
src/reactions/pathk.F90 | 23.15% <14.28%> (-0.13%) |
:arrow_down: |
src/corrections/gdisp.F90 | 97.19% <100.00%> (+0.13%) |
:arrow_up: |
src/input/wrtkey.F90 | 64.26% <100.00%> (+0.15%) |
:arrow_up: |
src/reactions/big_swap.F90 | 85.25% <100.00%> (ø) |
|
src/PARAM/parkey.F90 | 0.00% <0.00%> (ø) |
|
src/SCF/iter.F90 | 89.03% <0.00%> (+0.16%) |
:arrow_up: |
src/input/readmo.F90 | 55.01% <0.00%> (+0.44%) |
:arrow_up: |
... and 6 more |
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This got a little ugly with strange CPack behavior and added complications in adding files to the tarball that shouldn't appear in a local installation.
Added a few bug fixes and minor feature enhancements (
PRTXYZ
behavior changes) from Jimmy and some pre-patch housekeeping. I was unable to reproduce two bugs reported recently, and the new policy will be to add open, un-reproducible bugs in MOPAC as "erratic" tests in the hopes that these tests fail somewhere and provide more information for fixing the underlying bugs (if any). A simple, non-QTIFW installer has been requested for Linux because of QTIFW portability problems, and a first version of that is included as well.Status