globus-labs / mof-generation-at-scale / 6788396602
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Jobs 1
Files 39
Run time 4s
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coverage: 32.788% (-40.5%) from 73.333%
6788396602

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Add cif2lammps (#18)

* Add files via upload

* Add files via upload

* Update Dreiding_construction.py

* Update Dreiding_construction.py

* Update Dreiding_construction.py

* Update UFF4MOF_construction.py

* Update UFF_construction.py

* Update ZIFFF_construction.py

* Update advanced_run_scripts.py

* Update cif2system.py

* Update main_conversion.py

* Update pymatgen_cif2system.py

* Update small_molecule_construction.py

* Update superimposition.py

* Update test_run.py

* Update write_GULP_inputs.py

* Update write_lammps_data.py

* Update write_molecule_files.py

* Update zeoliteFFs_construction.py

* Update ZIFFF_construction.py

* Update small_molecule_construction.py

* Update write_molecule_files.py

* Update ZIFFF_construction.py

* Update lammps.py

* Update lammps.py

* Update lammps.py

* Update lammps.py

* Update lammps.py

* Update lammps.py

* Add files via upload

* Update lammps.py

* Update lammps.py

* Create LAMMPSPrep

* Rename LAMMPSPrep to LAMMPSPrep.py

* Update LAMMPSPrep.py

* Rename tests/LAMMPSPrep/LAMMPSPrep.py to tests/simulation/LAMMPSPrep/LAMMPSPrep.py

* Update LAMMPSPrep.py

* Update lammps.py

* Update lammps.py

* Rename tests/simulation/LAMMPSPrep/LAMMPSPrep.py to tests/simulation/LAMMPSPrep.py

* Rename LAMMPSPrep.py to test_lammps.py

* Update lammps.py

* Update environment-cpu.yml

* Update environment-cpu.yml

* Update test_lammps.py

* Update environment-cpu.yml

* Update test_lammps.py

* Update lammps.py

* Update lammps.py

* Update lammps.py

* Update test_lammps.py

* Create pacmof.py

* Update pacmof.py

* Update pacmof.py

* Update pacmof.py

* Update pacmof.py

* Update pacmof.py

* Update pacmof.py

* Update cif2system.py

* Update write_lammps_data.py

* Update cif2system.py

* Update write_lammps_data.py

* Update write_lammps_data.py

* Update write_lammps_data.py

... (continued)

1462 of 4603 new or added lines in 28 files covered. (31.76%)

1543 of 4706 relevant lines covered (32.79%)

0.33 hits per line

Jobs
ID Job ID Ran Files Coverage
1 6788396602.1 0
32.79
Source Files on build 6788396602
Detailed source file information is not available for this build.