From b72f40a56db9daffcbb73661917807bc663fd665 Mon Sep 17 00:00:00 2001
From: Timur Bazhirov <timur@exabyte.io>
Date: Sun, 22 Oct 2023 12:21:44 -0700
Subject: [PATCH] chore: add rebuilt templates

---
 src/js/data/filter_trees.js | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/js/data/filter_trees.js b/src/js/data/filter_trees.js
index 94de6f46..29e026e2 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"}],"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"}],"pw_esm_relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"pw_nscf":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"pw_relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"pw_vc-relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}]}}}},"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"}],"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"}],"pw_esm_relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"pw_nscf":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"pw_relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}],"pw_vc-relax":[{"path":"/pb/qm/dft/ksdft/lda?functional=pz"},{"path":"/pb/qm/dft/ksdft/gga?functional=pbe"}]}}}},"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"},{"path":"/qm/wf/none/smearing/methfessel-paxton"},{"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