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nomad-lab
parser-cp2k
Commits
b19b3044
Commit
b19b3044
authored
May 26, 2016
by
Lauri Himanen
Browse files
Added scala test for geo_opt.
parent
dc2ff0a2
Changes
3
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src/test/scala/eu/nomad_lab/parsers/Cp2kParserSpec.scala
View file @
b19b3044
...
@@ -9,7 +9,10 @@ object Cp2kParserSpec extends Specification {
...
@@ -9,7 +9,10 @@ object Cp2kParserSpec extends Specification {
}
}
}
}
"test with json"
>>
{
"test
energy_force
with json"
>>
{
ParserRun
.
parse
(
Cp2kParser
,
"parsers/cp2k/test/examples/energy_force/si_bulk8.out"
,
"json"
)
must_==
ParseResult
.
ParseSuccess
ParserRun
.
parse
(
Cp2kParser
,
"parsers/cp2k/test/examples/energy_force/si_bulk8.out"
,
"json"
)
must_==
ParseResult
.
ParseSuccess
}
}
"test geo_opt with json"
>>
{
ParserRun
.
parse
(
Cp2kParser
,
"parsers/cp2k/test/examples/geo_opt/H2O.out"
,
"json"
)
must_==
ParseResult
.
ParseSuccess
}
}
}
test/examples/geo_opt/
geo_opt
.inp
→
test/examples/geo_opt/
H2O
.inp
View file @
b19b3044
File moved
test/examples/geo_opt/
unittest
.out
→
test/examples/geo_opt/
H2O
.out
View file @
b19b3044
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