From d32d34cfff8618faf671902add9eeb86f27e9fae Mon Sep 17 00:00:00 2001
From: Pranab Das <31024886+pranabdas@users.noreply.github.com>
Date: Fri, 17 May 2024 23:09:42 +0800
Subject: [PATCH] SOF-7344: add method path for collinear magnetization

---
 models/espresso/5.2.1.yml   | 4 ++++
 src/js/data/filter_trees.js | 2 +-
 2 files changed, 5 insertions(+), 1 deletion(-)

diff --git a/models/espresso/5.2.1.yml b/models/espresso/5.2.1.yml
index 757fd559..0e567cdf 100644
--- a/models/espresso/5.2.1.yml
+++ b/models/espresso/5.2.1.yml
@@ -5,6 +5,10 @@ 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
+    pw_scf_magn:
+      - path: /pb/qm/dft/ksdft/lda?functional=pz&spinPolarization=collinear
+      - path: /pb/qm/dft/ksdft/gga?functional=pbe&spinPolarization=collinear
+      - path: /pb/qm/dft/ksdft/gga?functional=pbesol&spinPolarization=collinear
     pw_scf_bands_hse:
       - path: /pb/qm/dft/ksdft/hybrid?functional=hse06
     pw_esm:
diff --git a/src/js/data/filter_trees.js b/src/js/data/filter_trees.js
index 580c537d..de4ec3ce 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/ksd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\ No newline at end of file
+module.exports = 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\ No newline at end of file