adapted wf input and qadapter to fh2, tm calculation in two steps

demos/6_advanced/config/qadapter_fh2_turbomole.yaml

 _fw_name: CommonAdapter
 _fw_q_type: SLURM
-rocket_launch: rlaunch -w /home/kit/scc/jk7683/grk2450-fireworks-tutorial/advanced/config/fworker_turbomole.yaml -l /home/kit/scc/jk7683/grk2450-fireworks-tutorial/advanced/config/launchpad.yaml rapidfire --nlaunches 1
+rocket_launch: rlaunch -w /home/fh2-project-devel/jk7683/grk2450-fireworks-tutorial/demos/6_advanced/config/fworker_fh2_turbomole.yaml -l /home/fh2-project-devel/jk7683/.fireworks/launchpad_mongonm1_test.yaml rapidfire --nlaunches 1
 nodes: 1
-ntasks: 20
-walltime: '00:30:00'
-queue: normal
+ntasks: 2
+walltime: '00:10:00'
+queue: develop
 account: null
 job_name: null
-pre_rocket: export PARA_ARCH=MPI; module purge; module load anaconda3 chem/turbomole; export PYTHONPATH=/home/kit/scc/jk7683/grk2450-fireworks-tutorial/lib:$PYTHONPATH
+pre_rocket: module use $PROJECT/modulefiles; module purge; export PARA_ARCH=MPI; module load anaconda3 chem/turbomole; export PYTHONPATH=/home/fh2-project-devel/jk7683/grk2450-fireworks-tutorial/lib:$PYTHONPATH
 post_rocket: null

demos/6_advanced/inputs/water-turbomole.yaml

@@ -3,7 +3,7 @@ fws:
   name: Relax H2O structure
   spec:
     _category: turbomole
-    _fworker: uc1
+    _fworker: fh2
     _dupefinder:
       _fw_name: DupeFinderExact
     _tasks:
@@ -60,7 +60,7 @@ fws:
   name: Normal mode analysis of H2O (numerical derivatives)
   spec:
     _category: turbomole
-    _fworker: uc1
+    _fworker: fh2
     _dupefinder:
       _fw_name: DupeFinderExact
     _tasks:
@@ -106,7 +106,7 @@ fws:
   name: Normal mode analysis of H2O (analytical derivatives)
   spec:
     _category: turbomole
-    _fworker: uc1
+    _fworker: fh2
     _dupefinder:
       _fw_name: DupeFinderExact
     _tasks:

demos/6_advanced/inputs/water-turbomole_freqs.yaml

+fws:
+- fw_id: -3
+  name: Normal mode analysis of H2O (analytical derivatives)
+  spec:
+    _category: turbomole
+    _fworker: fh2
+    _dupefinder:
+      _fw_name: DupeFinderExact
+    _tasks:
+    - _fw_name: PyTask
+      func: compchem.calculate_vibrations
+      inputs:
+      - relaxed structure
+      - constraints
+      - calculator
+      outputs:
+      - vibrational energies
+      - zero-point energy
+      - transition state
+      - energy minimum
+    calculator:
+      name: turbomole
+      parameters:
+        task: frequencies
+        multiplicity: 1
+        total charge: 0
+        basis set name: def-SV(P)
+        use dft: true
+        use resolution of identity: true
+        density functional: pbe
+        density convergence: 1e-8
+    constraints: []
+links:
+  '-3': []
+metadata: {}

demos/6_advanced/inputs/water-turbomole_relax.yaml

+fws:
+- fw_id: 1
+  name: Relax H2O structure
+  spec:
+    _category: turbomole
+    _fworker: fh2
+    _dupefinder:
+      _fw_name: DupeFinderExact
+    _tasks:
+    - _fw_name: PyTask
+      func: compchem.structure_relaxation
+      inputs:
+      - structure
+      - constraints
+      - calculator
+      outputs:
+      - relaxed structure
+      - energy
+      - forces
+      - dipole
+    calculator:
+      name: turbomole
+      parameters:
+        task: optimize
+        multiplicity: 1
+        total charge: 0
+        use redundant internals: true
+        basis set name: def-SV(P)
+        use dft: true
+        use resolution of identity: true
+        density functional: pbe
+        force convergence: 0.005
+        geometry optimization iterations: 100
+    structure:
+      atoms:
+        cell:
+        - - 12.0
+          - 0.0
+          - 0.0
+        - - 0.0
+          - 12.0
+          - 0.0
+        - - 0.0
+          - 0.0
+          - 12.0
+        numbers: [8, 1, 1]
+        pbc: [true, true, true]
+        positions:
+        - - 6.0
+          - 6.0
+          - 6.0
+        - - 6.96504783
+          - 5.87761163
+          - 6.0
+        - - 5.87761163
+          - 6.96504783
+          - 6.0
+    constraints: []
+links:
+  '1': []
+metadata:
+  density functional: PBE
+  calculator: turbomole
+name: H2O normal modes - extend as you go