{"record_type":"pith_number_record","schema_url":"https://pith.science/schemas/pith-number/v1.json","pith_number":"pith:2010:7XTAF7Y3EF4RN24JHD22IQ4NR5","short_pith_number":"pith:7XTAF7Y3","schema_version":"1.0","canonical_sha256":"fde602ff1b217916eb8938f5a4438d8f563fad360ba4a3c5a9aa8643038d7f9a","source":{"kind":"arxiv","id":"1012.1116","version":3},"attestation_state":"computed","paper":{"title":"Shifted forces in molecular dynamics","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cond-mat.stat-mech"],"primary_cat":"cond-mat.soft","authors_text":"Jeppe C. Dyre, S{\\o}ren Toxvaerd","submitted_at":"2010-12-06T10:26:53Z","abstract_excerpt":"Simulations involving the Lennard-Jones potential usually employ a cut-off at $r=2.5\\sigma$. This paper investigates the possibility of reducing the cut-off. Two different cut-off implementations are compared, the standard shifted potential cut-off and the less commonly used shifted forces cut-off. The first has correct forces below the cut-off, whereas the shifted forces cut-off modifies Newton's equations at all distances. The latter is nevertheless superior; we find that for most purposes realistic simulations may be obtained using a shifted-forces cut-off at $r=1.5\\sigma$, even though the "},"verification_status":{"content_addressed":true,"pith_receipt":true,"author_attested":false,"weak_author_claims":0,"strong_author_claims":0,"externally_anchored":false,"storage_verified":false,"citation_signatures":0,"replication_records":0,"graph_snapshot":true,"references_resolved":false,"formal_links_present":false},"canonical_record":{"source":{"id":"1012.1116","kind":"arxiv","version":3},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.soft","submitted_at":"2010-12-06T10:26:53Z","cross_cats_sorted":["cond-mat.stat-mech"],"title_canon_sha256":"847b3cdf7233f853032b491941bafcfd9610d7466efff8a61928a3ae53c48c01","abstract_canon_sha256":"81ebac3dedc40de6449b407ca144d142b328d5e833a188556e444f12ed89a712"},"schema_version":"1.0"},"receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T03:35:26.487414Z","signature_b64":"hZMYOoxnF3eeud7/qTWE1vN3BYYf35AEzYCtIt6hy97YxsG7wsvyP6OBwQeUNtQpIRpPa01LGo7fp+yJof+eCw==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"fde602ff1b217916eb8938f5a4438d8f563fad360ba4a3c5a9aa8643038d7f9a","last_reissued_at":"2026-05-18T03:35:26.486845Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T03:35:26.486845Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"graph_snapshot":{"paper":{"title":"Shifted forces in molecular dynamics","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cond-mat.stat-mech"],"primary_cat":"cond-mat.soft","authors_text":"Jeppe C. Dyre, S{\\o}ren Toxvaerd","submitted_at":"2010-12-06T10:26:53Z","abstract_excerpt":"Simulations involving the Lennard-Jones potential usually employ a cut-off at $r=2.5\\sigma$. This paper investigates the possibility of reducing the cut-off. Two different cut-off implementations are compared, the standard shifted potential cut-off and the less commonly used shifted forces cut-off. The first has correct forces below the cut-off, whereas the shifted forces cut-off modifies Newton's equations at all distances. The latter is nevertheless superior; we find that for most purposes realistic simulations may be obtained using a shifted-forces cut-off at $r=1.5\\sigma$, even though the "},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1012.1116","kind":"arxiv","version":3},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"references":{"count":0,"sample":[],"resolved_work":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","internal_anchors":0},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"author_claims":{"count":0,"strong_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"builder_version":"pith-number-builder-2026-05-17-v1"},"aliases":[{"alias_kind":"arxiv","alias_value":"1012.1116","created_at":"2026-05-18T03:35:26.486931+00:00"},{"alias_kind":"arxiv_version","alias_value":"1012.1116v3","created_at":"2026-05-18T03:35:26.486931+00:00"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1012.1116","created_at":"2026-05-18T03:35:26.486931+00:00"},{"alias_kind":"pith_short_12","alias_value":"7XTAF7Y3EF4R","created_at":"2026-05-18T12:26:05.355336+00:00"},{"alias_kind":"pith_short_16","alias_value":"7XTAF7Y3EF4RN24J","created_at":"2026-05-18T12:26:05.355336+00:00"},{"alias_kind":"pith_short_8","alias_value":"7XTAF7Y3","created_at":"2026-05-18T12:26:05.355336+00:00"}],"events":[],"event_summary":{},"paper_claims":[],"inbound_citations":{"count":0,"internal_anchor_count":0,"sample":[]},"formal_canon":{"evidence_count":0,"sample":[],"anchors":[]},"links":{"html":"https://pith.science/pith/7XTAF7Y3EF4RN24JHD22IQ4NR5","json":"https://pith.science/pith/7XTAF7Y3EF4RN24JHD22IQ4NR5.json","graph_json":"https://pith.science/api/pith-number/7XTAF7Y3EF4RN24JHD22IQ4NR5/graph.json","events_json":"https://pith.science/api/pith-number/7XTAF7Y3EF4RN24JHD22IQ4NR5/events.json","paper":"https://pith.science/paper/7XTAF7Y3"},"agent_actions":{"view_html":"https://pith.science/pith/7XTAF7Y3EF4RN24JHD22IQ4NR5","download_json":"https://pith.science/pith/7XTAF7Y3EF4RN24JHD22IQ4NR5.json","view_paper":"https://pith.science/paper/7XTAF7Y3","resolve_alias":"https://pith.science/api/pith-number/resolve?arxiv=1012.1116&json=true","fetch_graph":"https://pith.science/api/pith-number/7XTAF7Y3EF4RN24JHD22IQ4NR5/graph.json","fetch_events":"https://pith.science/api/pith-number/7XTAF7Y3EF4RN24JHD22IQ4NR5/events.json","actions":{"anchor_timestamp":"https://pith.science/pith/7XTAF7Y3EF4RN24JHD22IQ4NR5/action/timestamp_anchor","attest_storage":"https://pith.science/pith/7XTAF7Y3EF4RN24JHD22IQ4NR5/action/storage_attestation","attest_author":"https://pith.science/pith/7XTAF7Y3EF4RN24JHD22IQ4NR5/action/author_attestation","sign_citation":"https://pith.science/pith/7XTAF7Y3EF4RN24JHD22IQ4NR5/action/citation_signature","submit_replication":"https://pith.science/pith/7XTAF7Y3EF4RN24JHD22IQ4NR5/action/replication_record"}},"created_at":"2026-05-18T03:35:26.486931+00:00","updated_at":"2026-05-18T03:35:26.486931+00:00"}