Commit ff3bf906 authored by Lauri Himanen's avatar Lauri Himanen
Browse files

Merge branch 'master' of gitlab.mpcdf.mpg.de:nomad-lab/parser-cp2k

parents 58afb4ce 59bce5dc
......@@ -65,7 +65,7 @@ class MyParserImplementation1():
result.
"""
result = Result()
result.unit = ureg.joule
result.unit = "joule"
result.value = 2.0
return result
......@@ -76,7 +76,7 @@ class MyParserImplementation1():
one example on how to avoid loading the entire file into memory.
"""
result = Result()
result.unit = ureg.newton
result.unit = "newton"
xyz_string = self.parser.get_file_contents("forces")
forces = []
i_forces = []
......@@ -127,7 +127,7 @@ class MyParserImplementation1():
yield np.array(i_forces)
result = Result()
result.unit = ureg.angstrom
result.unit = "angstrom"
result.value_iterable = position_generator()
return result
```
......@@ -149,7 +149,7 @@ class MyParserImplementation2(MyParserImplementation1):
def energy(self):
"""The energy unit has changed in this version."""
result = Result()
result.unit = ureg.hartree
result.unit = "hartree"
result.value = "2.0"
return result
```
......@@ -181,4 +181,4 @@ The 'files' object contains all the files that are given to the parser. The
attribute names are the file paths and their values are optional id's. The id's
are not typically given and they have to be assigned by using the
setup_file_id() function of NomadParser. Assigning id's helps to manage the
files.
files.
\ No newline at end of file
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