diff --git a/src/custodian/jdftx/__init__.py b/src/custodian/jdftx/__init__.py new file mode 100644 index 00000000..2fe49558 --- /dev/null +++ b/src/custodian/jdftx/__init__.py @@ -0,0 +1,4 @@ +""" +This package implements various JDFTx Jobs and Error Handlers. +Used Cp2kJob developed by Nick Winner as a template. +""" diff --git a/src/custodian/jdftx/jobs.py b/src/custodian/jdftx/jobs.py index 9b4ad0d2..2359ea3f 100644 --- a/src/custodian/jdftx/jobs.py +++ b/src/custodian/jdftx/jobs.py @@ -14,8 +14,6 @@ class JDFTxJob(Job): """A basic JDFTx job. Runs whatever is in the working directory.""" - # Used Cp2kJob developed by Nick Winner as a template. - def __init__( self, jdftx_cmd,