diff --git a/methods/espresso/5.2.1.yml b/methods/espresso/5.2.1.yml
index fc5f4671..1f517773 100644
--- a/methods/espresso/5.2.1.yml
+++ b/methods/espresso/5.2.1.yml
@@ -16,3 +16,35 @@ Default:
       - path: /linalg/diag/none/davidson/none
 #      - regex: \/qm\/wf\/none\/tetrahedron\/.*
 #      - path: /opt/diff/ordern/cg/none
+GNU:
+  pw.x:
+    pw_scf:
+      - path: /qm/wf/none/pw/none
+      - path: /qm/wf/none/smearing/gaussian
+      - regex: \/qm\/wf\/none\/psp\/(nc|us|paw)
+      - path: /linalg/diag/none/davidson/none
+#      - regex: \/qm\/wf\/none\/tetrahedron\/.*
+#      - path: /opt/diff/ordern/cg/none
+    pw_scf_bands_hse:
+      - path: /qm/wf/none/pw/none
+      - path: /qm/wf/none/smearing/gaussian
+      - regex: \/qm\/wf\/none\/psp\/(nc|us|paw)
+      - path: /linalg/diag/none/davidson/none
+#      - regex: \/qm\/wf\/none\/tetrahedron\/.*
+#      - path: /opt/diff/ordern/cg/none
+Intel:
+  pw.x:
+    pw_scf:
+      - path: /qm/wf/none/pw/none
+      - path: /qm/wf/none/smearing/gaussian
+      - regex: \/qm\/wf\/none\/psp\/(nc|us|paw)
+      - path: /linalg/diag/none/davidson/none
+#      - regex: \/qm\/wf\/none\/tetrahedron\/.*
+#      - path: /opt/diff/ordern/cg/none
+    pw_scf_bands_hse:
+      - path: /qm/wf/none/pw/none
+      - path: /qm/wf/none/smearing/gaussian
+      - regex: \/qm\/wf\/none\/psp\/(nc|us|paw)
+      - path: /linalg/diag/none/davidson/none
+#      - regex: \/qm\/wf\/none\/tetrahedron\/.*
+#      - path: /opt/diff/ordern/cg/none
diff --git a/models/espresso/5.2.1.yml b/models/espresso/5.2.1.yml
index 757fd559..c6f8dd4f 100644
--- a/models/espresso/5.2.1.yml
+++ b/models/espresso/5.2.1.yml
@@ -27,3 +27,59 @@ Default:
       - path: /pb/qm/dft/ksdft/lda?functional=pz
       - path: /pb/qm/dft/ksdft/gga?functional=pbe
       - path: /pb/qm/dft/ksdft/gga?functional=pbesol
+GNU:
+  pw.x:
+    pw_scf:
+      - path: /pb/qm/dft/ksdft/lda?functional=pz
+      - path: /pb/qm/dft/ksdft/gga?functional=pbe
+      - path: /pb/qm/dft/ksdft/gga?functional=pbesol
+    pw_scf_bands_hse:
+      - path: /pb/qm/dft/ksdft/hybrid?functional=hse06
+    pw_esm:
+      - path: /pb/qm/dft/ksdft/lda?functional=pz
+      - path: /pb/qm/dft/ksdft/gga?functional=pbe
+      - path: /pb/qm/dft/ksdft/gga?functional=pbesol
+    pw_esm_relax:
+      - path: /pb/qm/dft/ksdft/lda?functional=pz
+      - path: /pb/qm/dft/ksdft/gga?functional=pbe
+      - path: /pb/qm/dft/ksdft/gga?functional=pbesol
+    pw_nscf:
+      - path: /pb/qm/dft/ksdft/lda?functional=pz
+      - path: /pb/qm/dft/ksdft/gga?functional=pbe
+      - path: /pb/qm/dft/ksdft/gga?functional=pbesol
+    pw_relax:
+      - path: /pb/qm/dft/ksdft/lda?functional=pz
+      - path: /pb/qm/dft/ksdft/gga?functional=pbe
+      - path: /pb/qm/dft/ksdft/gga?functional=pbesol
+    pw_vc-relax:
+      - path: /pb/qm/dft/ksdft/lda?functional=pz
+      - path: /pb/qm/dft/ksdft/gga?functional=pbe
+      - path: /pb/qm/dft/ksdft/gga?functional=pbesol
+Intel:
+  pw.x:
+    pw_scf:
+      - path: /pb/qm/dft/ksdft/lda?functional=pz
+      - path: /pb/qm/dft/ksdft/gga?functional=pbe
+      - path: /pb/qm/dft/ksdft/gga?functional=pbesol
+    pw_scf_bands_hse:
+      - path: /pb/qm/dft/ksdft/hybrid?functional=hse06
+    pw_esm:
+      - path: /pb/qm/dft/ksdft/lda?functional=pz
+      - path: /pb/qm/dft/ksdft/gga?functional=pbe
+      - path: /pb/qm/dft/ksdft/gga?functional=pbesol
+    pw_esm_relax:
+      - path: /pb/qm/dft/ksdft/lda?functional=pz
+      - path: /pb/qm/dft/ksdft/gga?functional=pbe
+      - path: /pb/qm/dft/ksdft/gga?functional=pbesol
+    pw_nscf:
+      - path: /pb/qm/dft/ksdft/lda?functional=pz
+      - path: /pb/qm/dft/ksdft/gga?functional=pbe
+      - path: /pb/qm/dft/ksdft/gga?functional=pbesol
+    pw_relax:
+      - path: /pb/qm/dft/ksdft/lda?functional=pz
+      - path: /pb/qm/dft/ksdft/gga?functional=pbe
+      - path: /pb/qm/dft/ksdft/gga?functional=pbesol
+    pw_vc-relax:
+      - path: /pb/qm/dft/ksdft/lda?functional=pz
+      - path: /pb/qm/dft/ksdft/gga?functional=pbe
+      - path: /pb/qm/dft/ksdft/gga?functional=pbesol
diff --git a/src/js/data/filter_trees.js b/src/js/data/filter_trees.js
index ccd1d5df..eb39a540 100644
--- a/src/js/data/filter_trees.js
+++ b/src/js/data/filter_trees.js
@@ -1,2 +1,2 @@
 /* eslint-disable */
-module.exports = {"models":{"espresso":{"5.2.1":{"Default":{"pw.x":{"pw_scf":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbesol"}],"pw_scf_bands_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"pw_esm":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbesol"}],"pw_esm_relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbesol"}],"pw_nscf":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbesol"}],"pw_relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbesol"}],"pw_vc-relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbesol"}]}}}},"exabyteml":{"0.2.0":{"Default":{"train":{"train":[{"regex":"\\/st\\/det\\/ml\\/.*"}]},"score":{"score":[{"regex":"\\/st\\/det\\/ml\\/.*"}]}}}},"nwchem":{"6.6":{"Default":{"nwchem":{"nwchem_total_energy":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=b3lyp"}]}}}},"vasp":{"5.3.5":{"Default":{"vasp":{"vasp":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_bands":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_ncsf":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_bands_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_nscf_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_vc_relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_zpe":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_kpt_conv":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_vc_relax_conv":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb_initial":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb_final":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}]}},"Non-collinear":{"vasp":{"vasp":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_bands":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_ncsf":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_bands_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_nscf_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_vc_relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_zpe":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_kpt_conv":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_vc_relax_conv":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb_initial":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb_final":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}]}},"VTST":{"vasp":{"vasp":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_bands":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_ncsf":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_bands_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_nscf_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_vc_relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_zpe":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_kpt_conv":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_vc_relax_conv":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb_initial":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb_final":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}]}}},"5.4.4":{"Default":{"vasp":{"vasp":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_bands":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_ncsf":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_bands_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_nscf_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_vc_relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_zpe":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_kpt_conv":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_vc_relax_conv":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb_initial":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb_final":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}]}},"Gamma":{"vasp":{"vasp":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_bands":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_ncsf":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_bands_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_nscf_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_vc_relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_zpe":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_kpt_conv":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_vc_relax_conv":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb_initial":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb_final":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}]}},"Non-collinear":{"vasp":{"vasp":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_bands":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_ncsf":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_bands_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_nscf_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_vc_relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_zpe":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_kpt_conv":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_vc_relax_conv":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb_initial":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb_final":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}]}},"VTST":{"vasp":{"vasp":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_bands":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_ncsf":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_bands_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_nscf_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_vc_relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_zpe":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_kpt_conv":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_vc_relax_conv":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb_initial":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb_final":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}]}},"VTST-Gamma":{"vasp":{"vasp":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_bands":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_ncsf":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_bands_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_nscf_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_vc_relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_zpe":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_kpt_conv":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_vc_relax_conv":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb_initial":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb_final":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}]}},"VTST-Non-collinear":{"vasp":{"vasp":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_bands":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_ncsf":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_bands_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_nscf_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_vc_relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_zpe":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_kpt_conv":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_vc_relax_conv":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb_initial":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb_final":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}]}}}}},"methods":{"espresso":{"5.2.1":{"Default":{"pw.x":{"pw_scf":[{"path":"/qm/wf/none/pw/none"},{"path":"/qm/wf/none/smearing/gaussian"},{"regex":"\\/qm\\/wf\\/none\\/psp\\/(nc|us|paw)"},{"path":"/linalg/diag/none/davidson/none"}],"pw_scf_bands_hse":[{"path":"/qm/wf/none/pw/none"},{"path":"/qm/wf/none/smearing/gaussian"},{"regex":"\\/qm\\/wf\\/none\\/psp\\/(nc|us|paw)"},{"path":"/linalg/diag/none/davidson/none"}]}}}},"exabyteml":{"0.2.0":{"Default":{"train":{"train":[{"path":"/none/none/none/linear/least_squares"},{"path":"/none/none/none/linear/ridge"},{"path":"/none/none/none/kernel_ridge/least_squares"}]},"score":{"score":[{"path":"/none/none/none/linear/least_squares"},{"path":"/none/none/none/linear/ridge"},{"path":"/none/none/none/kernel_ridge/least_squares"}]}}}},"nwchem":{"6.6":{"Default":{"nwchem":{"nwchem_total_energy":[{"path":"/qm/wf/none/ao/pople?basisSlug=6-31G"}]}}}},"vasp":{"5.3.5":{"Default":{"vasp":{"vasp":[{"path":"/qm/wf/none/pw/none"},{"path":"/qm/wf/none/psp/paw"},{"path":"/qm/wf/none/smearing/gaussian"},{"path":"/linalg/diag/none/davidson/none"}]}}}}}}
\ No newline at end of file
+module.exports = {"models":{"espresso":{"5.2.1":{"Default":{"pw.x":{"pw_scf":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbesol"}],"pw_scf_bands_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"pw_esm":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbesol"}],"pw_esm_relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbesol"}],"pw_nscf":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbesol"}],"pw_relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbesol"}],"pw_vc-relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbesol"}]}},"GNU":{"pw.x":{"pw_scf":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbesol"}],"pw_scf_bands_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"pw_esm":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbesol"}],"pw_esm_relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbesol"}],"pw_nscf":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbesol"}],"pw_relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbesol"}],"pw_vc-relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbesol"}]}},"Intel":{"pw.x":{"pw_scf":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbesol"}],"pw_scf_bands_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"pw_esm":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbesol"}],"pw_esm_relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbesol"}],"pw_nscf":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbesol"}],"pw_relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbesol"}],"pw_vc-relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbesol"}]}}}},"exabyteml":{"0.2.0":{"Default":{"train":{"train":[{"regex":"\\/st\\/det\\/ml\\/.*"}]},"score":{"score":[{"regex":"\\/st\\/det\\/ml\\/.*"}]}}}},"nwchem":{"6.6":{"Default":{"nwchem":{"nwchem_total_energy":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=b3lyp"}]}}}},"vasp":{"5.3.5":{"Default":{"vasp":{"vasp":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_bands":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_ncsf":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_bands_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_nscf_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_vc_relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_zpe":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_kpt_conv":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_vc_relax_conv":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb_initial":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb_final":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}]}},"Non-collinear":{"vasp":{"vasp":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_bands":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_ncsf":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_bands_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_nscf_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_vc_relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_zpe":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_kpt_conv":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_vc_relax_conv":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb_initial":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb_final":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}]}},"VTST":{"vasp":{"vasp":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_bands":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_ncsf":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_bands_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_nscf_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_vc_relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_zpe":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_kpt_conv":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_vc_relax_conv":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb_initial":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb_final":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}]}}},"5.4.4":{"Default":{"vasp":{"vasp":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_bands":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_ncsf":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_bands_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_nscf_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_vc_relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_zpe":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_kpt_conv":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_vc_relax_conv":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb_initial":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb_final":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}]}},"Gamma":{"vasp":{"vasp":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_bands":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_ncsf":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_bands_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_nscf_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_vc_relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_zpe":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_kpt_conv":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_vc_relax_conv":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb_initial":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb_final":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}]}},"Non-collinear":{"vasp":{"vasp":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_bands":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_ncsf":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_bands_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_nscf_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_vc_relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_zpe":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_kpt_conv":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_vc_relax_conv":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb_initial":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb_final":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}]}},"VTST":{"vasp":{"vasp":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_bands":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_ncsf":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_bands_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_nscf_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_vc_relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_zpe":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_kpt_conv":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_vc_relax_conv":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb_initial":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb_final":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}]}},"VTST-Gamma":{"vasp":{"vasp":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_bands":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_ncsf":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_bands_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_nscf_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_vc_relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_zpe":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_kpt_conv":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_vc_relax_conv":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb_initial":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb_final":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}]}},"VTST-Non-collinear":{"vasp":{"vasp":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_bands":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_ncsf":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_bands_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_nscf_hse":[{"path":"/pb/qm/dft/ksdft/hybrid?functional=hse06"}],"vasp_relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_vc_relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_zpe":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_kpt_conv":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_vc_relax_conv":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb_initial":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"vasp_neb_final":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}]}}}}},"methods":{"espresso":{"5.2.1":{"Default":{"pw.x":{"pw_scf":[{"path":"/qm/wf/none/pw/none"},{"path":"/qm/wf/none/smearing/gaussian"},{"regex":"\\/qm\\/wf\\/none\\/psp\\/(nc|us|paw)"},{"path":"/linalg/diag/none/davidson/none"}],"pw_scf_bands_hse":[{"path":"/qm/wf/none/pw/none"},{"path":"/qm/wf/none/smearing/gaussian"},{"regex":"\\/qm\\/wf\\/none\\/psp\\/(nc|us|paw)"},{"path":"/linalg/diag/none/davidson/none"}]}},"GNU":{"pw.x":{"pw_scf":[{"path":"/qm/wf/none/pw/none"},{"path":"/qm/wf/none/smearing/gaussian"},{"regex":"\\/qm\\/wf\\/none\\/psp\\/(nc|us|paw)"},{"path":"/linalg/diag/none/davidson/none"}],"pw_scf_bands_hse":[{"path":"/qm/wf/none/pw/none"},{"path":"/qm/wf/none/smearing/gaussian"},{"regex":"\\/qm\\/wf\\/none\\/psp\\/(nc|us|paw)"},{"path":"/linalg/diag/none/davidson/none"}]}},"Intel":{"pw.x":{"pw_scf":[{"path":"/qm/wf/none/pw/none"},{"path":"/qm/wf/none/smearing/gaussian"},{"regex":"\\/qm\\/wf\\/none\\/psp\\/(nc|us|paw)"},{"path":"/linalg/diag/none/davidson/none"}],"pw_scf_bands_hse":[{"path":"/qm/wf/none/pw/none"},{"path":"/qm/wf/none/smearing/gaussian"},{"regex":"\\/qm\\/wf\\/none\\/psp\\/(nc|us|paw)"},{"path":"/linalg/diag/none/davidson/none"}]}}}},"exabyteml":{"0.2.0":{"Default":{"train":{"train":[{"path":"/none/none/none/linear/least_squares"},{"path":"/none/none/none/linear/ridge"},{"path":"/none/none/none/kernel_ridge/least_squares"}]},"score":{"score":[{"path":"/none/none/none/linear/least_squares"},{"path":"/none/none/none/linear/ridge"},{"path":"/none/none/none/kernel_ridge/least_squares"}]}}}},"nwchem":{"6.6":{"Default":{"nwchem":{"nwchem_total_energy":[{"path":"/qm/wf/none/ao/pople?basisSlug=6-31G"}]}}}},"vasp":{"5.3.5":{"Default":{"vasp":{"vasp":[{"path":"/qm/wf/none/pw/none"},{"path":"/qm/wf/none/psp/paw"},{"path":"/qm/wf/none/smearing/gaussian"},{"path":"/linalg/diag/none/davidson/none"}]}}}}}}
\ No newline at end of file