diff --git a/dmp.org b/dmp.org index 2b9a735..ea28ae1 100644 --- a/dmp.org +++ b/dmp.org @@ -125,8 +125,8 @@ PT-symmetric regions. All the notebooks will be versioned in the Git repository of the LCPQ (https://git.irsamc.ups-tlse.fr), publicly accessible. - These documents will be archived on Figshare, and the DOIs will be - provided in publications. + These documents will be archived on Figshare or Zenodo, and the + DOIs will be provided in publications. The LaTeX source files relative to reports, publications, presentations and posters will be versioned in the Git repository @@ -154,7 +154,7 @@ PT-symmetric regions. modification of the source code, a release will be made and the Zenodo DOI will be cited. - The project doesn't require any part of the codes to be closed. + The project doesn't require any part of the codes to be confidential. **** Guidelines :noexport: * Which data will be made openly available and if some datasets remain closed, @@ -163,20 +163,24 @@ PT-symmetric regions. (which repository)? * How the data can be accessed? Are relevant software tools/methods provided? - *** Making data interoperable - QuAcK operates internally with text files. - Standard =xyz= format is used for atomic coordinates and =GAMESS/US= format for atomic basis sets is used. The Basis Set Exchange (BSE) website (https://www.basissetexchange.org) provides data in this format. + Quantum Package is already interfaced with multiple codes of the + community (GAMESS, Molpro, Gaussian, QMCPack, QMC=Chem, ...) + + QuAcK operates internally with text files, using the same + conventions as Quantum Package. Hence, the two codes are + compatible and easily interoperable. + + **** Guidelines :noexport: Which standard or field-specific data and metadata vocabularies and methods will be used? - *** Increase data reuse Along the project, the code will be structured in independent @@ -196,7 +200,7 @@ PT-symmetric regions. *** Allocation of resources and data security The mirroring of the GitHub repository in the institute of the - coordinator provides a backup. + coordinator provides a backup of both QuAcK and Quantum Package. The automatic upload of new releases on Zenodo provides secure storage and long-term preservation of the source code.