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Merge pull request #2625 from yafshar/kim_citation

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Updating the kim citation report to lammps conventions
This commit is contained in:
Axel Kohlmeyer
2021-02-26 20:38:28 -05:00
committed by GitHub
parent ad7f14936e 335a6308d0
commit 1521c7a370
23 changed files with 597 additions and 260 deletions
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32
unittest/commands/test_kim_commands.cpp
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@ -570,6 +570,38 @@ TEST_F(KimCommandsTest, kim_query)
"one or more comma-separated items.*",
lmp->input->one(squery););
squery = "kim query a0 get_lattice_constant_cubic ";
squery += "crystal=[fcc] species=[Al,Ni, units=[angstrom]";
TEST_FAILURE(".*ERROR: Illegal query format.\nInput argument of `species="
"\\[Al,Ni,` to 'kim query' is wrong. The query format is "
"the keyword=\\[value\\], where value is always an array of "
"one or more comma-separated items.*",
lmp->input->one(squery););
squery = "kim query a0 get_lattice_constant_cubic ";
squery += "crystal=[fcc] species=Al,Ni], units=[angstrom]";
TEST_FAILURE(".*ERROR: Illegal query format.\nInput argument of `species="
"Al,Ni\\],` to 'kim query' is wrong. The query format is "
"the keyword=\\[value\\], where value is always an array of "
"one or more comma-separated items.*",
lmp->input->one(squery););
squery = "kim query a0 get_lattice_constant_cubic ";
squery += "crystal=[fcc] species=Al,\"Ni\"], units=[angstrom]";
TEST_FAILURE(".*ERROR: Illegal query format.\nInput argument of `species="
"Al,\"Ni\"\\],` to 'kim query' is wrong. The query format is "
"the keyword=\\[value\\], where value is always an array of "
"one or more comma-separated items.*",
lmp->input->one(squery););
squery = "kim query a0 get_lattice_constant_cubic ";
squery += "crystal=[fcc] species=\"Al\",Ni], units=[angstrom]";
TEST_FAILURE(".*ERROR: Illegal query format.\nInput argument of `species="
"\"Al\",Ni\\],` to 'kim query' is wrong. The query format is "
"the keyword=\\[value\\], where value is always an array of "
"one or more comma-separated items.*",
lmp->input->one(squery););
squery = "kim query a0 get_lattice_constant_cubic crystal=[\"fcc\"] "
"species=[\"Al\"]";
TEST_FAILURE(".*ERROR: Illegal query format.\nMust use 'kim init' before "