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diff --git a/INSTALL.md b/INSTALL.md
diff --git a/README.md b/README.md
@@ -1,20 +1,33 @@
 # CP2K
 
-CP2K is a quantum chemistry and solid state physics software package that can perform atomistic simulations of solid state, liquid, molecular, periodic, material, crystal, and biological systems. CP2K provides a general framework for different modeling methods such as DFT using the mixed Gaussian and plane waves approaches GPW and GAPW. Supported theory levels include DFTB, LDA, GGA, MP2, RPA, semi-empirical methods (AM1, PM3, PM6, RM1, MNDO, ...), and classical force fields (AMBER, CHARMM, ...). CP2K can do simulations of molecular dynamics, metadynamics, Monte Carlo, Ehrenfest dynamics, vibrational analysis, core level spectroscopy, energy minimization, and transition state optimization using NEB or dimer method.
+CP2K is a quantum chemistry and solid state physics software package that can
+perform atomistic simulations of solid state, liquid, molecular, periodic,
+material, crystal, and biological systems. CP2K provides a general framework for
+different modeling methods such as DFT using the mixed Gaussian and plane waves
+approaches GPW and GAPW. Supported theory levels include DFTB, LDA, GGA, MP2,
+RPA, semi-empirical methods (AM1, PM3, PM6, RM1, MNDO, ...), and classical force
+fields (AMBER, CHARMM, ...). CP2K can do simulations of molecular dynamics,
+metadynamics, Monte Carlo, Ehrenfest dynamics, vibrational analysis, core level
+spectroscopy, energy minimization, and transition state optimization using NEB
+or dimer method.
 
-CP2K is written in Fortran 2008 and can be run efficiently in parallel using a combination of multi-threading, MPI, and CUDA.
+CP2K is written in Fortran 2008 and can be run efficiently in parallel using
+a combination of multi-threading, MPI, and CUDA.
 
 ## Downloading CP2K source code
 
 To clone the current master (development version):
-```console
-$ git clone --recursive https://github.com/cp2k/cp2k.git cp2k
+
+```shell
+git clone --recursive https://github.com/cp2k/cp2k.git cp2k
 ```
+
 Note the ``--recursive`` flag that is needed because CP2K uses git submodules.
 
 To clone a release version v*x.y*:
-```console
-$ git clone -b support/vx.y https://github.com/cp2k/cp2k.git cp2k
+
+```shell
+git clone -b support/vx.y https://github.com/cp2k/cp2k.git cp2k
 ```
 
 For more information on downloading CP2K, see [Downloading CP2K](https://www.cp2k.org/download).
@@ -26,11 +39,16 @@ See [installation instructions](./INSTALL.md)
 
 ## Links
 
-* [CP2K.org](https://www.cp2k.org) for showcases of scientific work, tutorials, exercises, presentation slides, etc.
-* [The manual](https://manual.cp2k.org/) with descriptions of all the keywords for the CP2K input file
-* [The dashboard](https://dashboard.cp2k.org) to get an overview of the currently tested architectures
-* [The Google group](https://groups.google.com/group/cp2k) to get help if you could not find an answer in one of the previous links
-* [Acknowledgements](https://www.cp2k.org/funding) for list of institutions and grants that help to fund the development of CP2K
+* [CP2K.org](https://www.cp2k.org)
+  for showcases of scientific work, tutorials, exercises, presentation slides, etc.
+* [The manual](https://manual.cp2k.org/)
+  with descriptions of all the keywords for the CP2K input file
+* [The dashboard](https://dashboard.cp2k.org)
+  to get an overview of the currently tested architectures
+* [The Google group](https://groups.google.com/group/cp2k) to get help if you
+  could not find an answer in one of the previous links
+* [Acknowledgements](https://www.cp2k.org/funding) for list of institutions and
+  grants that help to fund the development of CP2K
 
 ## Directory organization
 

diff --git a/benchmarks/Fayalite-FIST/README.md b/benchmarks/Fayalite-FIST/README.md
@@ -2,22 +2,32 @@
 
 ## Description
 
-This is a short molecular dynamics run of 1'000 time steps in a NPT ensemble at 300K. It consists of 28'000 atoms - a 103 supercell with 28 atoms of iron silicate (Fe2SiO4, also known as Fayalite) per unit cell. The simulation employs a classical potential (Morse with a hard-core repulsive term and 5.5 angstrom cutoff) with long-range electrostatics using Smoothed Particle Mesh Ewald (SPME) summation. While CP2K does support classical potentials via the Frontiers In Simulation Technology (FIST) module, this is not a typical calculation for CP2K but is included to give an impression of the performance difference between machines for the MM part of a QM/MM calculation.
+This is a short molecular dynamics run of 1'000 time steps in a NPT ensemble at
+300K. It consists of 28'000 atoms - a 103 supercell with 28 atoms of iron silicate
+(Fe2SiO4, also known as Fayalite) per unit cell. The simulation employs a classical
+potential (Morse with a hard-core repulsive term and 5.5 angstrom cutoff) with
+long-range electrostatics using Smoothed Particle Mesh Ewald (SPME) summation.
+While CP2K does support classical potentials via the Frontiers In Simulation
+Technology (FIST) module, this is not a typical calculation for CP2K but is
+included to give an impression of the performance difference between machines
+for the MM part of a QM/MM calculation.
 
 ## Benchmarks
 
 - [`fayalite.inp`](fayalite.inp)
 
 ## Results
 
-The best configurations are shown below. Click the links under "Detailed Results" to see more detail.
+The best configurations are shown below.
+Click the links under "Detailed Results" to see more detail.
 
+<!-- markdownlint-disable MD013 -->
 | Machine Name | Architecture | Date       | SVN Revision | Fastest time (s) | Number of Cores | Number of Threads                 | Detailed Results |
 | ------------ | ------------ | ---------- | ------------ | ---------------- | --------------- | --------------------------------- | ---------------- |
 | HECToR       | Cray XE6     | 21/1/2014  | 13196        | 403.928          | 512 cores       | 2 OMP threads per MPI task        | [hector-h2o-64](https://www.cp2k.org/performance:hector-h2o-64) |
 | ARCHER       | Cray XC30    | 9/1/2014   | 13473        | 197.117          | 576 cores       | 1 OMP thread per MPI task         | [archer-h2o-64](https://www.cp2k.org/performance:archer-h2o-64) |
 | Magnus       | Cray XC40    | 6/11/2014  | 14377        | 150.493          | 384 cores       | 1 OMP thread per MPI task         | [magnus-h2o-64](https://www.cp2k.org/performance:magnus-h2o-64) |
-| Piz Daint    | Cray XC30    | 12/05/2015 | 15268        | 207.972	         | 192 cores       | 1 OMP thread per MPI task, no GPU | [piz-daint-h2o-64](https://www.cp2k.org/performance:piz-daint-h2o-64) |
-| Cirrus       | SGI ICE XA   | 24/11/2016 | 7566         | 166.192	         | 1152 cores      | 9 OMP threads per MPI task        | [cirrus-h2o-64](https://www.cp2k.org/performance:cirrus-h2o-64) |
-| Noctua       | Cray CS500   | 25/09/2019 | 9f58d81      | 119.820	         | 640 cores       | 10 OMP thread per MPI task        | [noctua-h2o-64](https://www.cp2k.org/performance:noctua-h2o-64) |
-
+| Piz Daint    | Cray XC30    | 12/05/2015 | 15268        | 207.972          | 192 cores       | 1 OMP thread per MPI task, no GPU | [piz-daint-h2o-64](https://www.cp2k.org/performance:piz-daint-h2o-64) |
+| Cirrus       | SGI ICE XA   | 24/11/2016 | 7566         | 166.192          | 1152 cores      | 9 OMP threads per MPI task        | [cirrus-h2o-64](https://www.cp2k.org/performance:cirrus-h2o-64) |
+| Noctua       | Cray CS500   | 25/09/2019 | 9f58d81      | 119.820          | 640 cores       | 10 OMP thread per MPI task        | [noctua-h2o-64](https://www.cp2k.org/performance:noctua-h2o-64) |
+<!-- markdownlint-enable MD013 -->
diff --git a/benchmarks/QMMM_CBD_PHY/README.md b/benchmarks/QMMM_CBD_PHY/README.md
@@ -3,13 +3,14 @@
 ## Description
 
 This benchmark performs a short QM/MM MD simulation of 5 steps.
-The CBD_PHY system contains a phytochrome dimer (PBD-ID: 4O0P) with a bound chromophore, 
-solvated in water. There are 68 QM atoms in this system and 167,922 atoms in total.
-The QM atoms are modelled using the GPW method with the DZVP-MOLOPT-GTH basis set and 
-PBE XC functional. For the MM part the Amber03 forcefield is used for the protein 
-and water molecules are treated using the TIP3P model. The QM/MM coupling is described 
-with the Gaussian Expansion of the Electrostatic Potential (GEEP) method, and the bonds between the
-QM and MM atoms are treated using the Generalized Hybrid Orbital (GHO) method.
+The CBD_PHY system contains a phytochrome dimer (PBD-ID: 4O0P) with a bound
+chromophore, solvated in water. There are 68 QM atoms in this system and 167,922
+atoms in total. The QM atoms are modelled using the GPW method with the DZVP-MOLOPT-GTH
+basis set and PBE XC functional. For the MM part the Amber03 forcefield is used
+for the protein and water molecules are treated using the TIP3P model. The QM/MM
+coupling is described with the Gaussian Expansion of the Electrostatic Potential
+(GEEP) method, and the bonds between the QM and MM atoms are treated using the
+Generalized Hybrid Orbital (GHO) method.
 
 ## Files description
 
@@ -23,8 +24,8 @@ the TIP3P water model are used.
 ## Results
 
 ### MD Energy file
-
-```
+<!-- markdownlint-disable MD013 -->
+```cp2k-output
 #     Step Nr.          Time[fs]        Kin.[a.u.]          Temp[K]            Pot.[a.u.]        Cons Qty[a.u.]        UsedTime[s]
          0            0.000000       239.300084734       300.000000000     -1095.757596412      -856.457511678         0.000000000
          1            1.000000       218.500201290       273.924100193     -1067.608771800      -849.108570511       182.675886658
@@ -33,12 +34,14 @@ the TIP3P water model are used.
          4            4.000000       237.524625019       297.774184180     -1087.284636223      -849.760011204        26.518459213
          5            5.000000       245.799648725       308.148217747     -1101.835669561      -856.036020836        27.761591604
 ```
+<!-- markdownlint-enable MD013 -->
 
 ### Best Configurations
 
-The best configurations are shown below. 
+The best configurations are shown below.
 
+<!-- markdownlint-disable MD013 -->
 | Machine Name | Architecture | Date       | Commit No. | Fastest time (s) | Number of Cores | Number of Threads                 |
 | ------------ | ------------ | ---------- | -----------| ---------------- | --------------- | --------------------------------- |
 | ARCHER       | Cray XC30    | 07/06/2020 | 6e0731f    | 358.478          |  576            | 6 OMP threads per MPI task        |
-
+<!-- markdownlint-enable MD013 -->
diff --git a/benchmarks/QMMM_ClC/README.md b/benchmarks/QMMM_ClC/README.md
@@ -3,18 +3,20 @@
 ## Description
 
 This benchmark performs a short QM/MM MD simulation of 5 steps.
-ClC consists of a (ClC-ec1) chloride ion channel embedded in a lipid bilayer (PDB-ID: 1KPK), 
-which is solvated in water. Two variants are included for this system - ClC-19 and ClC-253 
-which differ only in having respectively 19 and 253 atoms treated quantum mechanically, 
-representing a small and large QM subsystem within a large MM subsystem (150,925 atoms in total). 
-The QM regions are modelled using the GPW method with the DZVP-MOLOPT-GTH basis set and the BLYP
- XC functional and the corresponding pseudopotentials. An energy cut-off for the plane waves of
- 300 Ry was found to be suitable. The Amber14 forcefield is used for the protein and 
-lipid14 forcefield is used for the lipid molecules, and water molecules are treated using the TIP3P model.
-The QM/MM coupling is described with the Gaussian Expansion of the Electrostatic Potential (GEEP)
- method, and the bonds between the QM and MM atoms are treated using the Generalized Hybrid Orbital (GHO) method.
-
-See also https://doi.org/10.1021/acs.jctc.9b00424
+ClC consists of a (ClC-ec1) chloride ion channel embedded in a lipid bilayer
+(PDB-ID: 1KPK), which is solvated in water. Two variants are included for this
+system - ClC-19 and ClC-253 which differ only in having respectively 19 and 253
+atoms treated quantum mechanically, representing a small and large QM subsystem
+within a large MM subsystem (150,925 atoms in total). The QM regions are modelled
+using the GPW method with the DZVP-MOLOPT-GTH basis set and the BLYP XC functional
+and the corresponding pseudopotentials. An energy cut-off for the plane waves of
+300 Ry was found to be suitable. The Amber14 forcefield is used for the protein
+and lipid14 forcefield is used for the lipid molecules, and water molecules are
+treated using the TIP3P model. The QM/MM coupling is described with the Gaussian
+Expansion of the Electrostatic Potential (GEEP) method, and the bonds between
+the QM and MM atoms are treated using the Generalized Hybrid Orbital (GHO) method.
+
+See also <https://doi.org/10.1021/acs.jctc.9b00424>.
 
 ## Files description
 
@@ -29,11 +31,10 @@ the TIP3P water model are used.
 
 ## Results
 
-### MD Energy file
+### MD Energy file for ClC-19
 
-**ClC-19**
-
-```
+<!-- markdownlint-disable MD013 -->
+```cp2k-output
 #     Step Nr.          Time[fs]        Kin.[a.u.]          Temp[K]            Pot.[a.u.]        Cons Qty[a.u.]        UsedTime[s]
          0            0.000000       215.076797492       300.000000000      -596.086687006      -381.009889515         0.000000000
          1            1.000000       198.652973057       277.091218635      -574.153507548      -375.500534491        70.967594760
@@ -43,9 +44,9 @@ the TIP3P water model are used.
          5            5.000000       229.995582697       320.809476493      -610.436739448      -380.441156751        15.286556874
 ```
 
-**ClC-253**
+### MD Energy file for ClC-253
 
-```
+```cp2k-output
 #     Step Nr.          Time[fs]        Kin.[a.u.]          Temp[K]            Pot.[a.u.]        Cons Qty[a.u.]        UsedTime[s]
          0            0.000000       215.076797492       300.000000000     -1491.612940400     -1276.536142909         0.000000000
          1            1.000000       198.662217163       277.104112782     -1469.689644927     -1271.027427764       473.027817380
@@ -55,19 +56,15 @@ the TIP3P water model are used.
          5            5.000000       230.080097510       320.927362031     -1506.045017099     -1275.964919589        86.374744609
 ```
 
-### Best Configurations
-
-The best configurations are shown below.
-
-**ClC-19**
+### Best Configuration for ClC-19
 
 | Machine Name | Architecture | Date       | Commit No. | Fastest time (s) | Number of Cores | Number of Threads                 |
 | ------------ | ------------ | ---------- | -----------| ---------------- | --------------- | --------------------------------- |
 | ARCHER       | Cray XC30    | 16/06/2020 | 6e0731f    | 225.171          |  384            | 4 OMP threads per MPI task        |
 
-**ClC-253**
+### Best Configuration for ClC-253
 
 | Machine Name | Architecture | Date       | Commit No. | Fastest time (s) | Number of Cores | Number of Threads                 |
 | ------------ | ------------ | ---------- | -----------| ---------------- | --------------- | --------------------------------- |
 | ARCHER       | Cray XC30    | 16/06/2020 | 6e0731f    | 937.151          |  576            | 6 OMP threads per MPI task        |
-
+<!-- markdownlint-enable MD013 -->
diff --git a/benchmarks/QMMM_MQAE/README.md b/benchmarks/QMMM_MQAE/README.md
@@ -3,17 +3,17 @@
 ## Description
 
 This benchmark performs a short QM/MM MD simulation of 5 steps.
-The MQAE system is a solute-solvent system consisting of a N-(6-methoxyquinolyl) 
-acetoethyl ester in solution. All 34 atoms of the ester are treated with QM whereas
- the remaining water atoms are treated with MM. The parameters for the organic molecule
- are created using the General Amber Force Field (GAFF) and the water molecules are 
-modelled using the SPCE model. The BLYP functional as the XC functional are used and an 
-energy cut-off of 400 Ry for the plane waves was found to be suitable.
-The QM/MM coupling is described with the Gaussian Expansion of the Electrostatic 
-Potential (GEEP) method, and the bonds between theQM and MM atoms are treated
- using the Generalized Hybrid Orbital (GHO) method.
-
-See also https://doi.org/10.1021/acs.jctc.9b00424
+The MQAE system is a solute-solvent system consisting of a N-(6-methoxyquinolyl)
+acetoethyl ester in solution. All 34 atoms of the ester are treated with QM
+whereas the remaining water atoms are treated with MM. The parameters for the
+organic molecule are created using the General Amber Force Field (GAFF) and the
+water molecules are modelled using the SPCE model. The BLYP functional as the XC
+functional are used and an energy cut-off of 400 Ry for the plane waves was
+found to be suitable. The QM/MM coupling is described with the Gaussian Expansion
+of the Electrostatic Potential (GEEP) method, and the bonds between theQM and MM
+atoms are treated using the Generalized Hybrid Orbital (GHO) method.
+
+See also <https://doi.org/10.1021/acs.jctc.9b00424>.
 
 ## Files description
 
@@ -27,8 +27,8 @@ the SPCE water model are used.
 ## Results
 
 ### MD Energy file
-
-```
+<!-- markdownlint-disable MD013 -->
+```cp2k-output
 #     Step Nr.          Time[fs]        Kin.[a.u.]          Temp[K]            Pot.[a.u.]        Cons Qty[a.u.]        UsedTime[s]
          0            0.000000        10.239105709       300.000000000      -191.999316391      -181.760210683         0.000000000
          1            1.000000         8.558243627       250.751692693      -189.793945191      -181.235701564        54.682023599
@@ -40,9 +40,9 @@ the SPCE water model are used.
 
 ### Best Configurations
 
-The best configurations are shown below. 
+The best configurations are shown below.
 
 | Machine Name | Architecture | Date       | Commit No. | Fastest time (s) | Number of Cores | Number of Threads                 |
 | ------------ | ------------ | ---------- | -----------| ---------------- | --------------- | --------------------------------- |
 | ARCHER       | Cray XC30    | 16/06/2020 | 6e0731f    | 72.439           |  384            | 6 OMP threads per MPI task        |
-
+<!-- markdownlint-enable MD013 -->