Commit b19b3044 authored by Lauri Himanen's avatar Lauri Himanen
Browse files

Added scala test for geo_opt.

parent dc2ff0a2
...@@ -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
}
} }
...@@ -23,7 +23,7 @@ ...@@ -23,7 +23,7 @@
CP2K| Program compiled at ke 4.11.2015 08.48.42 +0200 CP2K| Program compiled at ke 4.11.2015 08.48.42 +0200
CP2K| Program compiled on lauri-Lenovo-Z50-70 CP2K| Program compiled on lauri-Lenovo-Z50-70
CP2K| Program compiled for Linux-x86-64-gfortran_basic CP2K| Program compiled for Linux-x86-64-gfortran_basic
CP2K| Input file name geo_opt.inp CP2K| Input file name H2O.inp
   
GLOBAL| Force Environment number 1 GLOBAL| Force Environment number 1
GLOBAL| Basis set file name ../BASIS_SET GLOBAL| Basis set file name ../BASIS_SET
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