... | ... | @@ -4,40 +4,40 @@ Parser Assignment |
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* general contact fawzi.mohamed *at* fhi-berlin.mpg.de
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| code | repository | integrated | maintainer | code stats | notes |
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|------|------------|------------|------------|-------------|-------|
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| [FHI-aims](https://aimsclub.fhi-berlin.mpg.de/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-fhi-aims) | yes | fawzi.mohamed *at* fhi-berlin.mpg.de | cloc: 1622 (102 commits) | 15.6.2016 |
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| [VASP](https://www.vasp.at/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-vasp) | yes | fawzi.mohamed *at* fhi-berlin.mpg.de | cloc: 564 (21 commits) | 15.6.2016 |
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| [turbomole](http://www.turbomole.com/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-turbomole) | yes | chibani *at* fhi-berlin.mpg.de,fawzi.mohamed *at* fhi-berlin.mpg.de | cloc 168 (15 commits) | 7.7.2016 |
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| [Dmol^3](http://dmol3.web.psi.ch/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-dmol3) | yes | shang *at* fhi-berlin.mpg.de, fawzi.mohamed *at* fhi-berlin.mpg.de | cloc: 221 (10 commits) | - |
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| [qBox](http://qboxcode.org/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-qbox) | yes | shang *at* fhi-berlin.mpg.de, fawzi.mohamed *at* fhi-berlin.mpg.de | cloc: 184 (9 commits) | 30.6.2016 |
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| [ORCA](http://cec.mpg.de/forum/) | [created](https://gitlab.rzg.mpg.de/nomad-lab/parser-orca) | no | villaseca *at* fhi-berlin.mpg.de, fawzi.mohamed *at* fhi-berlin.mpg.de | cloc: 0 (2 commits) | 15.7.2016 |
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| [TINKER](http://dasher.wustl.edu/tinker/) | not yet | no | - | - | - |
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| [NAMD](http://www.ks.uiuc.edu/Research/namd/) | not yet | no | - | - | - |
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| status | code | repository | integrated | maintainer | code stats | notes |
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|--------|------|------------|------------|------------|-------------|-------|
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| ![OK](images/ok.png) | [FHI-aims](https://aimsclub.fhi-berlin.mpg.de/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-fhi-aims) | yes | fawzi.mohamed *at* fhi-berlin.mpg.de | cloc: 1622 (102 commits) | 15.6.2016 |
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| ![OK](images/ok.png) | [VASP](https://www.vasp.at/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-vasp) | yes | fawzi.mohamed *at* fhi-berlin.mpg.de | cloc: 564 (21 commits) | 15.6.2016 |
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| ![WARN](images/warn.png) | [turbomole](http://www.turbomole.com/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-turbomole) | yes | mazheika *at* fhi-berlin.mpg.de | cloc 504 (43 commits) | 7.8.2016 missing data in repository, meta (cell,...) |
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| | [Dmol^3](http://dmol3.web.psi.ch/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-dmol3) | yes | shang *at* fhi-berlin.mpg.de, fawzi.mohamed *at* fhi-berlin.mpg.de | cloc: 221 (10 commits) | - |
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| ![WARN](images/ok.png) | [qBox](http://qboxcode.org/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-qbox) | yes | shang *at* fhi-berlin.mpg.de, fawzi.mohamed *at* fhi-berlin.mpg.de | cloc: 302 (23 commits) | 30.6.2016 missing meta (single\_configuration\_calculation\_to\_system\_ref,...) |
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| ![WARN](images/warn.png) | [ORCA](http://cec.mpg.de/forum/) | [created](https://gitlab.rzg.mpg.de/nomad-lab/parser-orca) | yes | villaseca *at* fhi-berlin.mpg.de, fawzi.mohamed *at* fhi-berlin.mpg.de | cloc: 235 (7 commits) | 15.7.2016 missing meta (atom\_position,...) |
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| | [TINKER](http://dasher.wustl.edu/tinker/) | not yet | no | - | - | - |
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| | [NAMD](http://www.ks.uiuc.edu/Research/namd/) | not yet | no | - | - | - |
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* HUB
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* general contact lorenzo.pardini *at* physik.hu-berlin.de
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| code | repository | integrated | maintainer | code stats | notes |
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|------|------------|------------|------------|-------------|-------|
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| [exciting](http://exciting-code.org/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-exciting) | yes | lorenzo.pardini *at* physik.hu-berlin.de | cloc: 153 (19 commits) | 15.6.2016 |
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| [WIEN2k](http://www.wien2k.at/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-wien2k) | no | tomeckadm *at* gmail.com | - | 31.8.2016 |
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| [ELK](http://elk.sourceforge.net/) | not yet | no | lorenzo.pardini *at* physik.hu-berlin.de | - | 10.9.2016 |
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| [FLEUR](http://www.flapw.de/pm/) | not yet | no | tomeckadm *at* gmail.com | - | 30.9.2016 |
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| [FPLO](http://www.fplo.de/) | not yet | no | lorenzo.pardini *at* physik.hu-berlin.de | - | - |
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| status | code | repository | integrated | maintainer | code stats | notes |
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|--------|------|------------|------------|------------|-------------|-------|
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| ![WARN](images/warn.png) | [exciting](http://exciting-code.org/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-exciting) | yes | lorenzo.pardini *at* physik.hu-berlin.de | cloc: 393 (48 commits) | 15.6.2016 missing meta info (atom\_positions,...) |
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| ![WARN](images/warn.png) | [WIEN2k](http://www.wien2k.at/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-wien2k) | no | tomeckadm *at* gmail.com | - | 31.8.2016 missing meta (single_configuration_calculation_to_system_ref,...), missing data in repository |
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| | [ELK](http://elk.sourceforge.net/) | active | no | lorenzo.pardini *at* physik.hu-berlin.de | cloc:251 (17 commits) | 10.9.2016 |
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| | [FLEUR](http://www.flapw.de/pm/) | active | no | tomeckadm *at* gmail.com | cloc: 81 (4 commits) | 30.9.2016 |
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| | [FPLO](http://www.fplo.de/) | not yet | no | lorenzo.pardini *at* physik.hu-berlin.de | - | - |
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* UB
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* general contact rosendo.valero *at* gmail.com
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| code | repository | integrated | maintainer | code stats | notes |
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|------|------------|------------|------------|-------------|-------|
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| [Gaussian](http://www.gaussian.com/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-gaussian) | yes | rosendo.valero *at* gmail.com | cloc: 103 (24 commits) | 30.6.2016 |
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| [GAMESS](http://www.wien2k.at/) | not yet | no | rosendo.valero *at* gmail.com | - | 30.7.2016 |
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| [GULP](http://www.fplo.de/) | [created](https://gitlab.rzg.mpg.de/nomad-lab/parser-gulp) | no | asklarsen *at* gmail.com + alejandro | - | 20.9.2016 |
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| [SIESTA](http://departments.icmab.es/leem/siesta/) | [created](https://gitlab.rzg.mpg.de/nomad-lab/parser-siesta) | no | asklarsen *at* gmail.com | - | 15.8.2016 |
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| [Molcas](http://www.flapw.de/pm/) | not yet | no | rosendo.valero *at* gmail.com | - | 30.8.2016 |
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| status | code | repository | integrated | maintainer | code stats | notes |
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|--------|------|------------|------------|------------|-------------|-------|
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| ![WARN](images/warn.png) | [Gaussian](http://www.gaussian.com/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-gaussian) | yes | rosendo.valero *at* gmail.com | cloc: 1333 (41 commits) | 30.6.2016 missin meta (energy\_total) |
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| ![WARN](images/warn.png) | [GAMESS](http://www.wien2k.at/) | not yet | no | rosendo.valero *at* gmail.com | - | 30.7.2016 |
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| | [GULP](http://www.fplo.de/) | [created](https://gitlab.rzg.mpg.de/nomad-lab/parser-gulp) | no | asklarsen *at* gmail.com + alejandro | cloc 0 commits 1 | 20.9.2016 |
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| ![WARN](images/warn.png) | [SIESTA](http://departments.icmab.es/leem/siesta/) | [created](https://gitlab.rzg.mpg.de/nomad-lab/parser-siesta) | no | asklarsen *at* gmail.com | cloc: 302 (21 commits) | 15.8.2016 missing meta (xc, single\_configuration\_calculation\_to\_system\_ref,...), missing data |
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| ![WARN](images/warn.png) | [Molcas](http://www.flapw.de/pm/) | not yet | no | rosendo.valero *at* gmail.com | - | 30.8.2016 |
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* KCL + CAM:
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... | ... | @@ -45,44 +45,44 @@ Parser Assignment |
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* martistella86 *at* gmail.com
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* cp605 *at* cam.ac.uk (Carl Poelking, CAM)
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| code | repository | integrated | maintainer | code stats | notes |
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|------|------------|------------|------------|-------------|-------|
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| [LAMMPS](http://lammps.sandia.gov/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-lammps) | yes | massimo.riello *at* kcl.ac.uk | cloc: 1980 (77 commits) | 15.6.2016 |
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| [CASTEP](http://www.castep.org/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-castep) | yes | martistella86 *at* gmail.com | cloc: 1575, (73 commits) | 15.6.2016 |
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| [onetep](http://www2.tcm.phy.cam.ac.uk/onetep/) | [created](https://gitlab.rzg.mpg.de/nomad-lab/parser-onetep) | no | martistella86 *at* gmail.com | - | 26.7.2016 |
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| [DL_POLY](http://www.stfc.ac.uk/SCD/research/app/44516.aspx) | [created](https://gitlab.rzg.mpg.de/nomad-lab/parser-dl-poly) | yes | Carl Poelking cp605 *at* cam.ac.uk | cloc 1333 (24 commits) | 15.6.2016 |
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| [QUIP /libatoms/GAP](http://www.libatoms.org/Home/LibAtomsQUIP) | [created](https://gitlab.rzg.mpg.de/nomad-lab/parser-lib-atoms) | no | Carl Poelking cp605 *at* cam.ac.uk | - | 15.7.2016 |
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| [LM Suite (TB-LMTO-ASA)](http://www2.fkf.mpg.de/andersen/) | not yet | no | - | - | - |
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| status | code | repository | integrated | maintainer | code stats | notes |
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|--------|------|------------|------------|------------|-------------|-------|
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| ![WARN](images/warn.png) | [LAMMPS](http://lammps.sandia.gov/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-lammps) | yes | adam.fekete *at* kcl.ac.uk | cloc: 5160 (167 commits) | 15.6.2016 missing data in repository|
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| ![WARN](images/warn.png) | [CASTEP](http://www.castep.org/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-castep) | yes | martistella86 *at* gmail.com | cloc: 2609, (224 commits) | 15.6.2016 missing meta (|
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| ![WARN](images/warn.png) | [onetep](http://www2.tcm.phy.cam.ac.uk/onetep/) | [created](https://gitlab.rzg.mpg.de/nomad-lab/parser-onetep) | no | martistella86 *at* gmail.com | cloc 2214 (49 commits) | 26.7.2016 missing meta (single\_configuration\_calculation\_to\_system\_ref), missing data |
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| ![WARN](images/warn.png) | [DL\_POLY](http://www.stfc.ac.uk/SCD/research/app/44516.aspx) | [created](https://gitlab.rzg.mpg.de/nomad-lab/parser-dl-poly) | yes | Carl Poelking cp605 *at* cam.ac.uk | cloc 1352 (33 commits) | 15.6.2016 single\_configuration\_to\_calculation\_method\_ref missing, no data|
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| | [QUIP /libatoms/GAP](http://www.libatoms.org/Home/LibAtomsQUIP) | [created](https://gitlab.rzg.mpg.de/nomad-lab/parser-lib-atoms) | no | Carl Poelking cp605 *at* cam.ac.uk | cloc:1033 (6 commits) | 15.7.2016, missing meta (method, frame\_sequence), no data in repository|
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| | [LM Suite (TB-LMTO-ASA)](http://www2.fkf.mpg.de/andersen/) | not yet | no | - | - | - |
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* AALTO
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* general contact: lauri.himanen *at* gmail.com
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| code | repository | integrated | maintainer | code stats | notes |
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|------|------------|------------|------------|-------------|-------|
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| [cp2k](http://www.cp2k.org/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-cp2k) | yes | lauri.himanen *at* gmail.com | cloc: 1066 (91 commits) | 15.6.2016 |
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| [crystal](http://www.crystal.unito.it/index.php) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-crystal) | yes | sami.k.kivisto *at* aalto.fi | cloc: 160 (5 commits) | 30.6.2016 |
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| [CPMD](http://www.cpmd.org/) | [created](https://gitlab.rzg.mpg.de/nomad-lab/parser-cpmd) | no | lauri.himanen *at* gmail.com | - | 30.7.2016 |
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| [NWChem](http://elk.sourceforge.net/) | not yet | no | lauri.himanen *at* gmail.com | - | 30.8.2016 |
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| [BigDFT](http://bigdft.org) | not yet | no | lauri.himanen *at* gmail.com | - | 30.9.2016 |
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| stats | code | repository | integrated | maintainer | code stats | notes |
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|-------|------|------------|------------|------------|-------------|-------|
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| (![OK](images/ok.png)) | [cp2k](http://www.cp2k.org/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-cp2k) | yes | lauri.himanen *at* gmail.com | cloc: 2954 (162 commits) | 15.6.2016 missing meta, few data|
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| ![WARN](images/warn.png) | [crystal](http://www.crystal.unito.it/index.php) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-crystal) | yes | sami.k.kivisto *at* aalto.fi | cloc: 2791 (32 commits) | 30.6.2016 missing meta, missing data |
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| ![WARN](images/warn.png) | [CPMD](http://www.cpmd.org/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-cpmd) | yes | lauri.himanen *at* gmail.com | 1863 (21 commits) | 30.7.2016 mssing data |
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| ![WARN](images/warn.png) | [NWChem](http://elk.sourceforge.net/) | not yet | no | lauri.himanen *at* gmail.com | cloc:598 (6 commits) | 30.8.2016 missing meta (XC\_functional), missing data|
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| | [BigDFT](http://bigdft.org) | not yet | no | lauri.himanen *at* gmail.com | - | 30.9.2016 |
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* MPSD-MPG
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* general contact: glawe *at* mpi-halle.mpg.de, asklarsen *at* gmail.com
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| code | repository | integrated | maintainer | code stats | notes |
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|------|------------|------------|------------|-------------|-------|
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| [octopus](http://www.tddft.org/programs/octopus/wiki/index.php/Main_Page) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-octopus) | yes | asklarsen *at* gmail.com | cloc: 45 (4 commits) | 24.6.2016 |
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| [Quantum Espresso](http://www.quantum-espresso.org/) | [created](https://gitlab.rzg.mpg.de/nomad-lab/parser-quantum-espresso) | yes | henning.glawe *at* mpsd.mpg.de | cloc: 46 (11 commits) | 15.9.2016 |
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| [Smeagol](https://www.tcd.ie/Physics/Smeagol/index.html) | [created](https://gitlab.rzg.mpg.de/nomad-lab/parser-smeagol) | no | andrea.droghetti *at* ehu.eus, asklarsen *at* gmail.com | - | 15.8.2016 |
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| [DFTB+](http://www.dftb-plus.info) | [created](https://gitlab.rzg.mpg.de/nomad-lab/parser-dftb-plus) | no | adrieldg *at* gmail.com | - | 15.8.2016 |
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| [abinit](http://www.abinit.org/) | [created](https://gitlab.rzg.mpg.de/nomad-lab/parser-abinit) | no | micael.oliveira *at* mpsd.mpg.de | - | 15.9.2016 |
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| status | code | repository | integrated | maintainer | code stats | notes |
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|--------|------|------------|------------|------------|-------------|-------|
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| ![WARN](images/warn.png) | [octopus](http://www.tddft.org/programs/octopus/wiki/index.php/Main_Page) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-octopus) | yes | asklarsen *at* gmail.com | cloc: 1173 (36 commits) | 24.6.2016 missing meta (single\_configuration\_calculation\_to\_system\_ref,...) |
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| | [Quantum Espresso](http://www.quantum-espresso.org/) | [created](https://gitlab.rzg.mpg.de/nomad-lab/parser-quantum-espresso) | yes | henning.glawe *at* mpsd.mpg.de | cloc: 2872 (421 commits) | 15.9.2016 missing data in repository, missing meta (frame_sequence)|
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| ![WARN](images/warn.png) | [Smeagol](https://www.tcd.ie/Physics/Smeagol/index.html) | [created](https://gitlab.rzg.mpg.de/nomad-lab/parser-smeagol) | no | andrea.droghetti *at* ehu.eus, asklarsen *at* gmail.com | cloc:5 (2 commits) | 15.8.2016 *NO PARSER*|
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| ![WARN](images/warn.png) | [DFTB+](http://www.dftb-plus.info) | [created](https://gitlab.rzg.mpg.de/nomad-lab/parser-dftb-plus) | no | adrieldg *at* gmail.com | cloc 93 (5 commits) | 15.8.2016 *NO PARSER* |
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| | [abinit](http://www.abinit.org/) | [created](https://gitlab.rzg.mpg.de/nomad-lab/parser-abinit) | no | micael.oliveira *at* mpsd.mpg.de | cloc: 487 (19 commits) | 15.9.2016 missing meta (xc, single\_configuration\_calculation\_to\_system\_ref), missing data |
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* DTU
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* general contact: jensj *at* fysik.dtu.dk
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| code | repository | integrated | maintainer | code stats | notes |
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|------|------------|------------|------------|-------------|-------|
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| [GPAW](https://wiki.fysik.dtu.dk/gpaw/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-gpaw) | yes | mikkel.strange *at* gmail.com | cloc 141 (26 commits) | 15.6.2016 |
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| [MOPAC](http://openmopac.net/) | [created](https://gitlab.rzg.mpg.de/nomad-lab/parser-mopac) | no | mikkel.strange *at* gmail.com | cloc: 0 (3 commits) | 1.7.2016 |
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| [ASAP](https://wiki.fysik.dtu.dk/ase/index.html) | not yet | no | mikkel.strange *at* gmail.com | - | 15.8.2016 |
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|[ATK](http://quantumwise.com/) | not yet | no | mikkel.strange *at* gmail.com | - | 31.8.2016 |
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| [gromacs](http://www.gromacs.org/) | not yet | no | mikkel.strange *at* gmail.com | - | 30.9.2016 | |
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| status | code | repository | integrated | maintainer | code stats | notes |
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|--------|------|------------|------------|------------|-------------|-------|
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| ![WARN](images/warn.png) | [GPAW](https://wiki.fysik.dtu.dk/gpaw/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-gpaw) | yes | mikkel.strange *at* gmail.com | cloc 186 (43 commits) | 15.6.2016 missing meta (single\_configuration\_calculation\_to\_system\_ref,...) |
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| ![WARN](images/warn.png) | [MOPAC](http://openmopac.net/) | [created](https://gitlab.rzg.mpg.de/nomad-lab/parser-mopac) | no | mikkel.strange *at* gmail.com | cloc: 59 (9 commits) | 1.7.2016 missin meta (atom\_positions,...) missing data|
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| ![WARN](images/warn.png) | [ASAP](https://wiki.fysik.dtu.dk/ase/index.html) | not yet | no | mikkel.strange *at* gmail.com | - | 15.8.2016 |
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| ![WARN](images/warn.png) |[ATK](http://quantumwise.com/) | not yet | no | mikkel.strange *at* gmail.com | - | 31.8.2016 |
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| | [gromacs](http://www.gromacs.org/) | not yet | no | mikkel.strange *at* gmail.com | - | 30.9.2016 | |