fix LangevinBAOAB import in test_md.py

Author: bernstei

tests/local_scripts/complete_pytest.tin

@@ -95,7 +95,7 @@ l=`egrep '^=.*(passed|failed|skipped|xfailed|error).* in ' complete_pytest.tin.o
 echo "summary line $l"
 lp=$( echo $l | sed -E -e 's/ in .*//' -e 's/\s*,\s*/\n/g' )
 
-declare -A expected_n=( ["passed"]="177" ["skipped"]="21" ["warnings"]=823 ["xfailed"]=2 ["xpassed"]=1 )
+declare -A expected_n=( ["passed"]="188" ["skipped"]="26" ["warnings"]=823 ["xfailed"]=2 ["xpassed"]=1 )
 IFS=$'\n'
 t_stat=0
 for out in $lp; do

tests/test_md.py

@@ -20,7 +20,7 @@
 from wfl.generate.md.abort import AbortOnCollision, AbortOnLowEnergy
 
 try:
-    from ase.md.LangevinBAOAB import LangevinBAOAB
+    from ase.md.langevinbaoab import LangevinBAOAB
 except ImportError:
     LangevinBAOAB = None