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Add molpro electronic #197

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3 changes: 3 additions & 0 deletions .gitmodules
Original file line number Diff line number Diff line change
@@ -0,0 +1,3 @@
[submodule "electronicparsers/molpro"]
path = electronicparsers/molpro
url = https://github.com/nomad-coe/nomad-parser-molpro-plugin.git
39 changes: 20 additions & 19 deletions README.md
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Expand Up @@ -20,25 +20,26 @@ This is a collection of the NOMAD parsers for the following electronic codes:
18. [Gaussian](http://gaussian.com)
19. [GPAW](https://wiki.fysik.dtu.dk/gpaw/)
20. [Molcas](http://molcas.org/)
21. [MOPAC](http://openmopac.net/)
22. [NWChem](https://nwchemgit.github.io/)
23. [OCEAN](https://feff.phys.washington.edu/OCEAN/index.html)
24. [Octopus](https://octopus-code.org/)
25. [ONETEP](https://www.onetep.org/)
26. [OpenMX](http://www.openmx-square.org/)
27. [ORCA](https://www.faccts.de/orca/)
28. [Psi4](https://psicode.org/)
29. [Qball](https://github.com/LLNL/qball)
30. [Qbox](http://qboxcode.org/)
31. [QuantumESPRESSO](http://www.quantum-espresso.org/)
32. [SIESTA](https://siesta-project.org/siesta)
33. [soliddmft](https://github.com/TRIQS/solid_dmft)
34. [TURBOMOLE](https://www.turbomole.org/)
35. [VASP](https://www.vasp.at/)
36. [w2dynamics](https://github.com/w2dynamics/w2dynamics)
37. [Wannier90](http://www.wannier.org/)
38. [WIEN2k](http://www.wien2k.at/)
39. [YAMBO](https://www.yambo-code.org/)
21. [Molpro](https://www.molpro.net/)
22. [MOPAC](http://openmopac.net/)
23. [NWChem](https://nwchemgit.github.io/)
24. [OCEAN](https://feff.phys.washington.edu/OCEAN/index.html)
25. [Octopus](https://octopus-code.org/)
26. [ONETEP](https://www.onetep.org/)
27. [OpenMX](http://www.openmx-square.org/)
28. [ORCA](https://www.faccts.de/orca/)
29. [Psi4](https://psicode.org/)
30. [Qball](https://github.com/LLNL/qball)
31. [Qbox](http://qboxcode.org/)
32. [QuantumESPRESSO](http://www.quantum-espresso.org/)
33. [SIESTA](https://siesta-project.org/siesta)
34. [soliddmft](https://github.com/TRIQS/solid_dmft)
35. [TURBOMOLE](https://www.turbomole.org/)
36. [VASP](https://www.vasp.at/)
37. [w2dynamics](https://github.com/w2dynamics/w2dynamics)
38. [Wannier90](http://www.wannier.org/)
39. [WIEN2k](http://www.wien2k.at/)
40. [YAMBO](https://www.yambo-code.org/)

## Preparing code input and output file for uploading to NOMAD

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1 change: 1 addition & 0 deletions electronicparsers/molpro
Submodule molpro added at 88069a
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