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Merge pull request #1 from openkim-hackathons/simplifiy-kimspec-template
simplify kimspec template
2 parents ed574c1 + 44667c2 commit 16bddfe

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Lines changed: 3 additions & 3 deletions

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test_template/kimspec.edn.genie

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{
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"title" "Equilibrium crystal structure for {{stoichiometric_species|join("")}} in AFLOW crystal prototype {{prototype_label}} at {{temperature_K}} K and {{'stress state '~cell_cauchy_stress_eV_angstrom3~' eV/angstrom^3' if cell_cauchy_stress_eV_angstrom3 is defined else 'zero pressure'}} v{{version}}"
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"description" "Given the zero-pressure, zero-temperature structure of {{stoichiometric_species|join("")}} in AFLOW crystal prototype {{prototype_label}}, this Test computes the corresponding structure at {{temperature_K}} K and {{'stress state '~cell_cauchy_stress_eV_angstrom3~' eV/angstrom^3' if cell_cauchy_stress_eV_angstrom3 is defined else 'zero pressure'}}."
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"extended-id" "{{TEST_DRIVER_NAME.split('_')[:-4]|join('_')}}_{{prototype_label}}_{{stoichiometric_species|join("")}}_{{temperature_K|replace('.','_')}}_K_{{(cell_cauchy_stress_eV_angstrom3~'_eV_per_angstrom3_' if cell_cauchy_stress_eV_angstrom3 is defined else '')|replace(' ','')|replace('[','')|replace(']','')|replace('.','_')|replace(',','__')}}_TE_{{kimnum}}_{{version}}"
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"title" "Equilibrium crystal structure for {{stoichiometric_species|join("")}} in AFLOW crystal prototype {{prototype_label}} at {{temperature_K}} K and {{cell_cauchy_stress_eV_angstrom3.0~' eV/angstrom^3' if cell_cauchy_stress_eV_angstrom3 is defined else 'zero'}} pressure v{{version}}"
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"description" "Given the zero-pressure, zero-temperature structure of {{stoichiometric_species|join("")}} in AFLOW crystal prototype {{prototype_label}}, this Test computes the corresponding structure at {{temperature_K}} K and {{cell_cauchy_stress_eV_angstrom3.0~' eV/angstrom^3' if cell_cauchy_stress_eV_angstrom3 is defined else 'zero'}} pressure."
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"extended-id" "{{TEST_DRIVER_NAME.split('_')[:-4]|join('_')}}_{{prototype_label}}_{{stoichiometric_species|join("")}}_{{temperature_K|replace('.','_')}}_K_{{(cell_cauchy_stress_eV_angstrom3.0~'_eV_per_angstrom3_' if cell_cauchy_stress_eV_angstrom3 is defined else '')|replace('.','_')}}_TE_{{kimnum}}_{{version}}"
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"test-driver" "{{TEST_DRIVER_NAME}}"
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"species" ["{{stoichiometric_species|join('" "')}}"]
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"contributor-id" "66443d60-a76c-472c-987e-dd80fde07aae"

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