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feat: recommended question for ABACUS
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Lines changed: 21 additions & 9 deletions

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agents/matmaster_agent/recommend_question.json

Lines changed: 21 additions & 9 deletions
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@@ -201,28 +201,30 @@
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{
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"zhPrompt": {
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"belonging": "ABACUS计算",
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"question": "对GaN使用HSE06方法计算能带结构,并输出能带图与态密度(DOS)",
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"structure_url": ""
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}
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},
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{
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"zhPrompt": {
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"belonging": "ABACUS计算",
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"question": "使用ABACUS对Si立方晶体进行结构优化计算,获取收敛后的晶格参数与总能量",
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"structure_url": "https://bohrium-agent-test.oss-cn-zhangjiakou.aliyuncs.com/agent/1760686797_bohriumcrystal_65e5a9338d93f05838e1c9d4_0.cif"
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"question": "请计算Si的能带",
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"share_url": {
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"test_url": "https://matmaster.test.bohrium.com/matmaster/share/019ae7eefaf771d6a6450c67d9a1c38f"
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},
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"structure_url": "https://dp-storage-test2.oss-cn-zhangjiakou.aliyuncs.com/bohrium-test/bohrium/feedback/attachment/01KBKYY4QB25BH1A64CR5ZQJQS/Si-prim.cif"
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}
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},
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{
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"zhPrompt": {
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"belonging": "ABACUS计算",
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"question": "使用ABACUS计算Si的声子色散曲线(需先进行结构优化)",
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"share_url": {
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"test_url": "https://matmaster.test.bohrium.com/matmaster/share/019ae373760373f1bbff92bfc5ac98ac"
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},
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"structure_url": "https://bohrium-agent-test.oss-cn-zhangjiakou.aliyuncs.com/agent/1760686797_bohriumcrystal_65e5a9338d93f05838e1c9d4_0.cif"
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}
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},
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{
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"zhPrompt": {
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"belonging": "ABACUS计算",
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"question": "使用ABACUS对Al₂O₃体系进行Bader电荷分析,并展示每个原子的电荷转移量",
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"share_url": {
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"test_url": "https://matmaster.test.bohrium.com/matmaster/share/019ae36182ad7df5a66c39806393310c"
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},
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"structure_url": "https://bohrium-agent-test.oss-cn-zhangjiakou.aliyuncs.com/agent/1760689671_oqmd_org_optimade_4848852_0.cif"
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}
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},
@@ -233,6 +235,16 @@
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"structure_url": "https://bohrium-agent-test.oss-cn-zhangjiakou.aliyuncs.com/agent/1760689265_oqmd_org_optimade_4063731_0.cif"
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}
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},
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{
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"zhPrompt": {
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"belonging": "ABACUS计算",
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"question": "使用ABACUS计算Pd(111)面的功函数,真空层位于z方向上。",
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"share_url": {
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"test_url": "https://matmaster.test.bohrium.com/matmaster/share/019ae3942ba07b8db65c325f1b2b3306"
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},
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"structure_url": "https://dp-storage-test2.oss-cn-zhangjiakou.aliyuncs.com/bohrium-test/bohrium/feedback/attachment/01KBHS8H8KVSG4FZC9S1WPAVGG/Pd111.cif"
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}
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},
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{
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"zhPrompt": {
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"belonging": "数据可视化",

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