diff --git a/meta_info/nomad_meta_info/castep.nomadmetainfo.json b/meta_info/nomad_meta_info/castep.nomadmetainfo.json new file mode 100644 index 0000000000000000000000000000000000000000..06610a0fb89f9eeec43c4e04eb25e612bd233169 --- /dev/null +++ b/meta_info/nomad_meta_info/castep.nomadmetainfo.json @@ -0,0 +1,10 @@ +{ + "type": "nomad_meta_info_1_0", + "description": "meta info used by the CASTEP parser, all names are expected to start with castep_", + "dependencies": [ { + "relativePath": "common.nomadmetainfo.json" + }, { + "relativePath": "meta_types.nomadmetainfo.json" + }], + "metaInfos": [ ] +} diff --git a/meta_info/nomad_meta_info/common.nomadmetainfo.json b/meta_info/nomad_meta_info/common.nomadmetainfo.json index 8a69ef574a35cbde6c872e3f6b55c758e4eac418..ab65c13d639564cc8b64a0edba095cc7fec04d91 100644 --- a/meta_info/nomad_meta_info/common.nomadmetainfo.json +++ b/meta_info/nomad_meta_info/common.nomadmetainfo.json @@ -1520,8 +1520,8 @@ "name": "section_basis_atom_centered", "superNames": [ "section_basis", - "section_basis_set_atom_centered", - "section_atom" + "section_atom", + "section_basis_set_atom_centered" ] }, { "description": "Description of one or a sub group of basis function in this basis set", diff --git a/meta_info/nomad_meta_info/cp2k.nomadmetainfo.json b/meta_info/nomad_meta_info/cp2k.nomadmetainfo.json index 8e9e84376be343f84112252e93eb766131a7008e..c4687c181385099ae0e292d7f9c563db9add6e4f 100644 --- a/meta_info/nomad_meta_info/cp2k.nomadmetainfo.json +++ b/meta_info/nomad_meta_info/cp2k.nomadmetainfo.json @@ -1,6 +1,6 @@ { "type": "nomad_meta_info_1_0", - "description": "Metainfo used by the CP2K parser, all names are expected to start with cp2k", + "description": "meta info used by the CP2K parser, all names are expected to start with cp2k_", "dependencies": [ { "relativePath": "common.nomadmetainfo.json" }, { diff --git a/meta_info/nomad_meta_info/exciting.nomadmetainfo.json b/meta_info/nomad_meta_info/exciting.nomadmetainfo.json index c6cb8441941f02f9099208ae58d512c4d2bffd96..a0499c132fde4627233f99c776484e424b191a36 100644 --- a/meta_info/nomad_meta_info/exciting.nomadmetainfo.json +++ b/meta_info/nomad_meta_info/exciting.nomadmetainfo.json @@ -6,5 +6,5 @@ }, { "relativePath": "meta_types.nomadmetainfo.json" }], - "metaInfos": [] + "metaInfos": [ ] } diff --git a/meta_info/nomad_meta_info/fhi_aims.nomadmetainfo.json b/meta_info/nomad_meta_info/fhi_aims.nomadmetainfo.json index 2148dd7759e437394c98d0216886d6885c4b8fde..858aee6ed469ad6fe2a6eb8a60775bdd99d6a340 100644 --- a/meta_info/nomad_meta_info/fhi_aims.nomadmetainfo.json +++ b/meta_info/nomad_meta_info/fhi_aims.nomadmetainfo.json @@ -1,6 +1,6 @@ { "type": "nomad_meta_info_1_0", - "description": "meta info used by the fhi parser, all names are expected to start with fhi_aims", + "description": "meta info used by the FHI aims parser, all names are expected to start with fhi_aims_", "dependencies": [ { "relativePath": "common.nomadmetainfo.json" }, { diff --git a/meta_info/nomad_meta_info/gaussian.nomadmetainfo.json b/meta_info/nomad_meta_info/gaussian.nomadmetainfo.json index 6cd33acdee1417d5e85b9be1ff359adb25b5b2a3..e5ce1d96ccff9fb020d992a71ae394c80744cb0b 100644 --- a/meta_info/nomad_meta_info/gaussian.nomadmetainfo.json +++ b/meta_info/nomad_meta_info/gaussian.nomadmetainfo.json @@ -6,5 +6,5 @@ }, { "relativePath": "meta_types.nomadmetainfo.json" }], - "metaInfos": [] + "metaInfos": [ ] } diff --git a/meta_info/nomad_meta_info/gpaw.nomadmetainfo.json b/meta_info/nomad_meta_info/gpaw.nomadmetainfo.json new file mode 100644 index 0000000000000000000000000000000000000000..e835293b9a5d0008f3788018e09f7eabb694fc30 --- /dev/null +++ b/meta_info/nomad_meta_info/gpaw.nomadmetainfo.json @@ -0,0 +1,10 @@ +{ + "type": "nomad_meta_info_1_0", + "description": "meta info used by the GPAW parser, all names are expected to start with gpaw_", + "dependencies": [ { + "relativePath": "common.nomadmetainfo.json" + }, { + "relativePath": "meta_types.nomadmetainfo.json" + }], + "metaInfos": [ ] +} diff --git a/meta_info/nomad_meta_info/lammps.nomadmetainfo.json b/meta_info/nomad_meta_info/lammps.nomadmetainfo.json new file mode 100644 index 0000000000000000000000000000000000000000..f721a41dd22163e66e9fca7b6d0144d8100e00f5 --- /dev/null +++ b/meta_info/nomad_meta_info/lammps.nomadmetainfo.json @@ -0,0 +1,10 @@ +{ + "type": "nomad_meta_info_1_0", + "description": "meta info used by the lammps parser, all names are expected to start with lammps_", + "dependencies": [ { + "relativePath": "common.nomadmetainfo.json" + }, { + "relativePath": "meta_types.nomadmetainfo.json" + }], + "metaInfos": [ ] +} diff --git a/meta_info/nomad_meta_info/octopus.nomadmetainfo.json b/meta_info/nomad_meta_info/octopus.nomadmetainfo.json new file mode 100644 index 0000000000000000000000000000000000000000..f7cfde286d88356a1035d93a85a0180548b493e7 --- /dev/null +++ b/meta_info/nomad_meta_info/octopus.nomadmetainfo.json @@ -0,0 +1,10 @@ +{ + "type": "nomad_meta_info_1_0", + "description": "meta info used by the octopus parser, all names are expected to start with octopus_", + "dependencies": [ { + "relativePath": "common.nomadmetainfo.json" + }, { + "relativePath": "meta_types.nomadmetainfo.json" + }], + "metaInfos": [ ] +} diff --git a/meta_info/nomad_meta_info/quantum_espresso.nomadmetainfo.json b/meta_info/nomad_meta_info/quantum_espresso.nomadmetainfo.json new file mode 100644 index 0000000000000000000000000000000000000000..7bdc05e9d2497a3a78ebe4929429d6381072aa72 --- /dev/null +++ b/meta_info/nomad_meta_info/quantum_espresso.nomadmetainfo.json @@ -0,0 +1,10 @@ +{ + "type": "nomad_meta_info_1_0", + "description": "meta info used by the Quantum Espresso parser, all names are expected to start with qe_", + "dependencies": [ { + "relativePath": "common.nomadmetainfo.json" + }, { + "relativePath": "meta_types.nomadmetainfo.json" + }], + "metaInfos": [ ] +} diff --git a/meta_info/nomad_meta_info/turbomole.nomadmetainfo.json b/meta_info/nomad_meta_info/turbomole.nomadmetainfo.json new file mode 100644 index 0000000000000000000000000000000000000000..ee9b6ecb0811339c0a73852b1ec7203383d26edb --- /dev/null +++ b/meta_info/nomad_meta_info/turbomole.nomadmetainfo.json @@ -0,0 +1,10 @@ +{ + "type": "nomad_meta_info_1_0", + "description": "meta info used by the TURBOMOLE parser, all names are expected to start with turbomole_", + "dependencies": [ { + "relativePath": "common.nomadmetainfo.json" + }, { + "relativePath": "meta_types.nomadmetainfo.json" + }], + "metaInfos": [ ] +}