From d61a990dbb769b3715ad55a51c7e14cd7491fdfb Mon Sep 17 00:00:00 2001
From: Daniel Wines <74620550+wines1@users.noreply.github.com>
Date: Wed, 15 Jan 2025 21:06:08 -0500
Subject: [PATCH] Delete chipsff/input_optim.json

---
 chipsff/input_optim.json | 62 ----------------------------------------
 1 file changed, 62 deletions(-)
 delete mode 100644 chipsff/input_optim.json

diff --git a/chipsff/input_optim.json b/chipsff/input_optim.json
deleted file mode 100644
index 1c4247e..0000000
--- a/chipsff/input_optim.json
+++ /dev/null
@@ -1,62 +0,0 @@
-{
-  "jid_list":["JVASP-8184", "JVASP-10591", "JVASP-8118", "JVASP-8003", "JVASP-1222", "JVASP-106363", "JVASP-1109", "JVASP-96", "JVASP-20092", "JVASP-30", "JVASP-1372", "JVASP-23", "JVASP-105410", "JVASP-36873", "JVASP-113", "JVASP-7836", "JVASP-861", "JVASP-9117", "JVASP-108770", "JVASP-9147", "JVASP-1180", "JVASP-10703", "JVASP-79522", "JVASP-21211", "JVASP-1195", "JVASP-8082", "JVASP-1186", "JVASP-802", "JVASP-8559", "JVASP-14968", "JVASP-43367", "JVASP-22694", "JVASP-3510", "JVASP-36018", "JVASP-90668", "JVASP-110231", "JVASP-149916", "JVASP-1103", "JVASP-1177", "JVASP-1115", "JVASP-1112", "JVASP-25", "JVASP-10037", "JVASP-103127", "JVASP-813", "JVASP-1067", "JVASP-825", "JVASP-14616", "JVASP-111005", "JVASP-1002", "JVASP-99732", "JVASP-54", "JVASP-133719", "JVASP-1183", "JVASP-62940", "JVASP-14970", "JVASP-34674", "JVASP-107", "JVASP-58349", "JVASP-110", "JVASP-1915", "JVASP-816", "JVASP-867", "JVASP-34249", "JVASP-1216", "JVASP-32", "JVASP-1201", "JVASP-2376", "JVASP-18983", "JVASP-943", "JVASP-104764", "JVASP-39", "JVASP-10036", "JVASP-1312", "JVASP-8554", "JVASP-1174", "JVASP-8158", "JVASP-131", "JVASP-36408", "JVASP-85478", "JVASP-972", "JVASP-106686", "JVASP-1008", "JVASP-4282", "JVASP-890", "JVASP-1192", "JVASP-91", "JVASP-104", "JVASP-963", "JVASP-1189", "JVASP-149871", "JVASP-5224", "JVASP-41", "JVASP-1240", "JVASP-1408", "JVASP-1023", "JVASP-1029", "JVASP-149906", "JVASP-1327", "JVASP-29539", "JVASP-19780", "JVASP-85416", "JVASP-9166", "JVASP-1198"], 
-  "calculator_types": ["alignn_ff","chgnet"],
-  "properties_to_calculate": [
-    "relax_structure",
-    "calculate_ev_curve",
-    "calculate_elastic_tensor"
-  ],
-"bulk_relaxation_settings": {
-  "filter_type": "ExpCellFilter",
-  "relaxation_settings": {
-    "fmax": 0.05,
-    "steps": 200,
-    "constant_volume": false
-  }
-},
-  "phonon_settings": {
-    "dim": [2, 2, 2],
-    "distance": 0.2
-  },
-  "use_conventional_cell": true,
-  "surface_settings": {
-    "indices_list": [
-      [0, 1, 0],
-      [0,0,1]
-    ],
-    "layers": 4,
-    "vacuum": 18,
-    "relaxation_settings": {
-      "fmax": 0.05,
-      "steps": 200,
-      "constant_volume": true
-    },
-    "filter_type": "ExpCellFilter"
-  },
-  "defect_settings": {
-    "generate_settings": {
-      "on_conventional_cell": true,
-      "enforce_c_size": 8,
-      "extend": 1
-    },
-    "relaxation_settings": {
-      "fmax": 0.05,
-      "steps": 200,
-      "constant_volume": true
-    },
-    "filter_type": "ExpCellFilter"
-  },
-  "phonon3_settings": {
-    "dim": [2, 2, 2],
-    "distance": 0.2
-  },
-  "md_settings": {
-    "dt": 1,
-    "temp0": 35,
-    "nsteps0": 10,
-    "temp1": 200,
-    "nsteps1": 20,
-    "taut": 20,
-    "min_size": 10.0
-  }
-}