SimonEnsemble / PorousMaterials.jl

Julia package towards classical molecular modeling of nanoporous materials
GNU General Public License v3.0
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V0.3.3 #204

Closed eahenle closed 2 years ago

eahenle commented 2 years ago

To register as v0.3.3

Merges changes from 3 feature branches:

codecov-commenter commented 2 years ago

Codecov Report

Merging #204 (53a93e2) into master (6ba963b) will increase coverage by 56.79%. The diff coverage is n/a.

Impacted file tree graph

@@             Coverage Diff             @@
##           master     #204       +/-   ##
===========================================
+ Coverage    0.00%   56.79%   +56.79%     
===========================================
  Files          15       15               
  Lines        1361     1368        +7     
===========================================
+ Hits            0      777      +777     
+ Misses       1361      591      -770     
Impacted Files Coverage Δ
src/PorousMaterials.jl 100.00% <ø> (+100.00%) :arrow_up:
src/gcmc.jl 3.85% <0.00%> (+3.85%) :arrow_up:
src/energy_utilities.jl 73.68% <0.00%> (+73.68%) :arrow_up:
src/forcefield.jl 78.94% <0.00%> (+78.94%) :arrow_up:
src/eos.jl 84.50% <0.00%> (+84.50%) :arrow_up:
src/molecule.jl 86.50% <0.00%> (+86.50%) :arrow_up:
src/energy_min.jl 88.00% <0.00%> (+88.00%) :arrow_up:
src/grid.jl 89.00% <0.00%> (+89.00%) :arrow_up:
src/vdw_energetics.jl 93.75% <0.00%> (+93.75%) :arrow_up:
src/electrostatics.jl 93.95% <0.00%> (+93.95%) :arrow_up:
... and 3 more

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eahenle commented 2 years ago

Registered as v0.3.3 https://github.com/JuliaRegistries/General/pull/48823