General Atomic and Molecular Electronic Structure System (GAMESS-UK) is a computer software program for computational chemistry. The original code split in 1981 into GAMESS-UK and GAMESS (US) variants, which now differ significantly. Many of the early developments in the UK version arose from the earlier UK based ATMOL program, which, unlike GAMESS, lacked analytical gradients for geometry optimisation.
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| - GAMESS UK (in)
- GAMESS (UK) (en)
- GAMESS (UK) (it)
- GAMESS (UK) (ja)
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| - GAMESS atau General Atomic and Molecular Electronic Structure System versi Inggris adalah perangkat lunak untuk perhitungan kimia kuantum yang dikembangkan di bawah payung UK's Collaborative Computational Project No. 1 (CCP1). Hak cipta dari perangkat lunak ini dimiliki oleh suatu badan bernama Komputer untuk Ilmu (Computer for Science). Untuk kepentingan yang tidak kemersial atau tujuan pendidikan, perangkat lunak ini dapat di peroleh secara . (in)
- General Atomic and Molecular Electronic Structure System (GAMESS-UK) は、計算化学のための計算プログラムである。オリジナルコードは1981年にGAMESS-UKとGAMESS (US)に分かれ、現在はかなり異なっている。UKバージョンの初期の開発の多くはそれ以前のATMOLプログラムから来ている。ATMOLはGAMESSとは異なり、幾何構造最適化のための解析的勾配を欠いていた。 GAMESS-UKはハートリー＝フォック法、メラー＝プレセット法（MP2およびMP3）、結合クラスター法（CCSDおよびCCSD(T)）、密度汎関数法（DFT）、配置間相互作用法（CI）、その他の進んだ電子構造手法を含む多くの一般的な計算化学計算を実行することができる。原子価結合波動関数の計算もJ. H. van LentheによるTURTLEコードによって可能である。 (ja)
- General Atomic and Molecular Electronic Structure System (GAMESS-UK) is a computer software program for computational chemistry. The original code split in 1981 into GAMESS-UK and GAMESS (US) variants, which now differ significantly. Many of the early developments in the UK version arose from the earlier UK based ATMOL program, which, unlike GAMESS, lacked analytical gradients for geometry optimisation. (en)
- GAMESS (UK) è un software di chimica computazionale il cui nome deriva dall'inglese General Atomic and Molecular Electronic Structure System. Il codice originale di GAMESS è stato diviso nel 1981 nelle varianti GAMESS (US) e GAMESS (UK), le quali adesso differiscono significativamente. Molti dei primi sviluppi nella versione UK derivavano dal precedente programma UK basato su ATMOL, il quale, diversamente da GAMESS, mancava di strumenti analitici per l'ottimizzazione delle geometrie. (it)
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| - CCLRC Daresbury Laboratory (en)
- Computing for Science Ltd. (en)
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| - Proprietary: freeware in UK; demo, serial, parallel, site-wide, joint software development (en)
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| - Linux, Mac OS X, AIX, Tru64 UNIX; Windows (en)
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| - General Atomic and Molecular Electronic Structure System (GAMESS-UK) is a computer software program for computational chemistry. The original code split in 1981 into GAMESS-UK and GAMESS (US) variants, which now differ significantly. Many of the early developments in the UK version arose from the earlier UK based ATMOL program, which, unlike GAMESS, lacked analytical gradients for geometry optimisation. GAMESS-UK can perform many general computational chemistry calculations, including Hartree–Fock method, Møller–Plesset perturbation theory (MP2 & MP3), coupled cluster (CCSD & CCSD(T)), density functional theory (DFT), configuration interaction (CI), and other advanced electronic structure methods. Calculation of valence bond wave functions are possible by the TURTLE code, due to J. H. van Lenthe. (en)
- GAMESS atau General Atomic and Molecular Electronic Structure System versi Inggris adalah perangkat lunak untuk perhitungan kimia kuantum yang dikembangkan di bawah payung UK's Collaborative Computational Project No. 1 (CCP1). Hak cipta dari perangkat lunak ini dimiliki oleh suatu badan bernama Komputer untuk Ilmu (Computer for Science). Untuk kepentingan yang tidak kemersial atau tujuan pendidikan, perangkat lunak ini dapat di peroleh secara . (in)
- General Atomic and Molecular Electronic Structure System (GAMESS-UK) は、計算化学のための計算プログラムである。オリジナルコードは1981年にGAMESS-UKとGAMESS (US)に分かれ、現在はかなり異なっている。UKバージョンの初期の開発の多くはそれ以前のATMOLプログラムから来ている。ATMOLはGAMESSとは異なり、幾何構造最適化のための解析的勾配を欠いていた。 GAMESS-UKはハートリー＝フォック法、メラー＝プレセット法（MP2およびMP3）、結合クラスター法（CCSDおよびCCSD(T)）、密度汎関数法（DFT）、配置間相互作用法（CI）、その他の進んだ電子構造手法を含む多くの一般的な計算化学計算を実行することができる。原子価結合波動関数の計算もJ. H. van LentheによるTURTLEコードによって可能である。 (ja)
- GAMESS (UK) è un software di chimica computazionale il cui nome deriva dall'inglese General Atomic and Molecular Electronic Structure System. Il codice originale di GAMESS è stato diviso nel 1981 nelle varianti GAMESS (US) e GAMESS (UK), le quali adesso differiscono significativamente. Molti dei primi sviluppi nella versione UK derivavano dal precedente programma UK basato su ATMOL, il quale, diversamente da GAMESS, mancava di strumenti analitici per l'ottimizzazione delle geometrie. GAMESS (UK) è in grado di realizzare un certo numero di calcoli generali di chimica computazionale, compresi il metodo di Hartree-Fock, la teoria perturbativa di Møller-Plesset (MP2 e MP3), metodo coupled cluster (CCSD & CCSD(T)), teoria del funzionale della densità (DFT), interazione di configurazione (CI), e altri metodi avanzati per il calcolo della struttura elettronica. Grazie al codice TURTLE, sviluppato da J.H. van Lenthe, è possibile il calcolo delle funzioni d'onda del legame di valenza tramite combinazione lineare di orbitali atomici (LCAO). (it)
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