... | ... | @@ -32,8 +32,8 @@ Parser Assignment |
|
|
|
|
|
| status | code | repository | integrated | maintainer | code stats | notes |
|
|
|
|--------|------|------------|------------|------------|-------------|-------|
|
|
|
| ![WARN](images/ok.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) | all calculations are failing |
|
|
|
| ![OK](images/ok.png) | [GAMESS](http://www.msg.ameslab.gov/gamess/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-gamess) | yes | rosendo.valero *at* gmail.com | - | |
|
|
|
| ![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) | all calculations are failing |
|
|
|
| ![WARN](images/warn.png) | [GAMESS](http://www.msg.ameslab.gov/gamess/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-gamess) | yes | rosendo.valero *at* gmail.com | - | |
|
|
|
| ![OK](images/ok.png) | [SIESTA](http://departments.icmab.es/leem/siesta/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-siesta) | yes | asklarsen *at* gmail.com | cloc: 302 (21 commits) | |
|
|
|
| ![OK](images/ok.png) | [Molcas](http://www.flapw.de/pm/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-molcas) | no | rosendo.valero *at* gmail.com | - | |
|
|
|
|
... | ... | @@ -45,7 +45,7 @@ Parser Assignment |
|
|
|
|
|
| status | code | repository | integrated | maintainer | code stats | notes |
|
|
|
|--------|------|------------|------------|------------|-------------|-------|
|
|
|
| ![WARN](images/ok.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) | |
|
|
|
| ![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) | |
|
|
|
| ![OK](images/ok.png) | [onetep](http://www2.tcm.phy.cam.ac.uk/onetep/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-onetep) | yes | martistella86 *at* gmail.com | cloc 2214 (49 commits) | |
|
|
|
| | [LM Suite (TB-LMTO-ASA)](http://www2.fkf.mpg.de/andersen/) | not yet | no | - | - | - |
|
|
|
|
... | ... | @@ -59,9 +59,9 @@ Berk Onat onatberk *at* gmail.com |
|
|
| | [NAMD](http://www.ks.uiuc.edu/Research/namd/) | not yet | no | - | - | - |
|
|
|
| ![OK](images/ok.png) | [GULP](http://nanochemistry.curtin.edu.au/gulp/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-gulp) | yes | asklarsen *at* gmail.com + alejandro (originally UB) | | |
|
|
|
| | [CHARMM](http://www.charmm.org/) | | no | | | |
|
|
|
| ![WARN](images/ok.png) | [DL\_POLY](http://www.stfc.ac.uk/SCD/research/app/44516.aspx) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-dl-poly) | yes | Carl Poelking cp605 *at* cam.ac.uk (Originally CAM) | cloc 1352 (33 commits) | |
|
|
|
| ![WARN](images/warn.png) | [DL\_POLY](http://www.stfc.ac.uk/SCD/research/app/44516.aspx) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-dl-poly) | yes | Carl Poelking cp605 *at* cam.ac.uk (Originally CAM) | cloc 1352 (33 commits) | |
|
|
|
| ![OK](images/ok.png) | [QUIP /libatoms/GAP](http://www.libatoms.org/Home/LibAtomsQUIP) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-lib-atoms) | yes | Carl Poelking cp605 *at* cam.ac.uk (Originally CAM) | cloc:1033 (6 commits) | |
|
|
|
| ![WARN](images/ok.png) | [LAMMPS](http://lammps.sandia.gov/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-lammps) | yes | adam.fekete *at* kcl.ac.uk (originally KCL) | cloc: 5160 (167 commits) | |
|
|
|
| ![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 (originally KCL) | cloc: 5160 (167 commits) | |
|
|
|
| ![ERROR](images/error.png) | [gromacs](http://www.gromacs.org/) | [created](https://gitlab.rzg.mpg.de/nomad-lab/parser-gromacs) | no | mikkel.strange *at* gmail.com (originally DTU) | - | |
|
|
|
| | [Amber](http://ambermd.org/) | [in progress](https://gitlab.mpcdf.mpg.de/nomad-lab/parser-amber) | no | onatberk *at* gmail.com | - | |
|
|
|
| | [GROMOS](http://www.gromos.net/) | | no | | - | |
|
... | ... | @@ -74,8 +74,8 @@ Berk Onat onatberk *at* gmail.com |
|
|
| ![OK](images/ok.png) | [cp2k](http://www.cp2k.org/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-cp2k) | yes | lauri.himanen *at* aalto.fi | cloc: 2954 (162 commits) | |
|
|
|
| ![OK](images/ok.png) | [crystal](http://www.crystal.unito.it/index.php) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-crystal) | yes | lauri.himanen *at* aalto.fi | cloc: 2791 (32 commits) | |
|
|
|
| ![OK](images/ok.png) | [CPMD](http://www.cpmd.org/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-cpmd) | yes | lauri.himanen *at* aalto.fi | cloc: 1948 (26 commits) | |
|
|
|
| ![WARN](images/ok.png) | [NWChem](http://www.nwchem-sw.org/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-nwchem) | yes | lauri.himanen *at* aalto.fi | cloc: 1180 (19 commits) | |
|
|
|
| ![WARN](images/ok.png) | [BigDFT](http://bigdft.org) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-big-dft) | yes | lauri.himanen *at* aalto.fi | cloc: 560 (14 commits) | Missing data |
|
|
|
| ![WARN](images/warn.png) | [NWChem](http://www.nwchem-sw.org/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-nwchem) | yes | lauri.himanen *at* aalto.fi | cloc: 1180 (19 commits) | |
|
|
|
| ![WARN](images/warn.png) | [BigDFT](http://bigdft.org) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-big-dft) | yes | lauri.himanen *at* aalto.fi | cloc: 560 (14 commits) | Missing data |
|
|
|
|
|
|
* MPSD-MPG
|
|
|
* general contact: glawe *at* mpi-halle.mpg.de, asklarsen *at* gmail.com
|
... | ... | @@ -95,5 +95,5 @@ Berk Onat onatberk *at* gmail.com |
|
|
|--------|------|------------|------------|------------|-------------|-------|
|
|
|
| ![OK](images/ok.png) | [GPAW](https://wiki.fysik.dtu.dk/gpaw/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-gpaw) | yes | mikkel.strange *at* gmail.com | | |
|
|
|
| ![OK](images/ok.png) | [MOPAC](http://openmopac.net/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-mopac) | yes | mikkel.strange *at* gmail.com | | |
|
|
|
| ![WARN](images/ok.png) | [ASAP](https://wiki.fysik.dtu.dk/ase/index.html) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-asap) | yes | mikkel.strange *at* gmail.com | - | |
|
|
|
| ![WARN](images/ok.png) |[ATK](http://quantumwise.com/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-atk) | yes | mikkel.strange *at* gmail.com | - | | |
|
|
| ![WARN](images/warn.png) | [ASAP](https://wiki.fysik.dtu.dk/ase/index.html) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-asap) | yes | mikkel.strange *at* gmail.com | - | |
|
|
|
| ![WARN](images/warn.png) |[ATK](http://quantumwise.com/) | [active](https://gitlab.rzg.mpg.de/nomad-lab/parser-atk) | yes | mikkel.strange *at* gmail.com | - | | |