Scigress, stylised SCiGRESS, is a software suite designed for molecular modeling, computational and experimental chemistry, drug design, and materials...
4 KB (238 words) - 23:52, 10 July 2024
GAMESS (UK) GAMESS (US) Gaussian Jaguar MOLCAS MOLPRO ONETEP OpenAtom ORCA PLATO PQS Q-Chem Quantemol Scigress Spartan TeraChem TURBOMOLE VASP WIEN2k XMVB...
32 KB (3,641 words) - 21:03, 6 August 2024
Unknown SAMSON Free C++, Python Unknown Unknown No Unknown Unknown Scigress Commercial C++, C, Java, Fortran Unknown Unknown No Unknown Unknown...
27 KB (510 words) - 12:46, 17 July 2024
GAMESS (UK) GAMESS (US) Gaussian Jaguar MOLCAS MOLPRO ONETEP OpenAtom ORCA PLATO PQS Q-Chem Quantemol Scigress Spartan TeraChem TURBOMOLE VASP WIEN2k XMVB...
2 KB (167 words) - 08:31, 12 August 2023
GAMESS (UK) GAMESS (US) Gaussian Jaguar MOLCAS MOLPRO ONETEP OpenAtom ORCA PLATO PQS Q-Chem Quantemol Scigress Spartan TeraChem TURBOMOLE VASP WIEN2k XMVB...
2 KB (71 words) - 13:59, 20 March 2024
OpenRasMol". Retrieved 24 September 2009. SAMSON Connect Scigress commercial license "Scigress". fqs.pl. 12 September 2014. Spartan webpage Spartan Tutorial...
15 KB (659 words) - 03:36, 3 December 2023
materials, etc.); modular architecture, modules are termed Elements; free Scigress Yes Yes Yes No Yes Yes Yes Yes Yes Yes Yes Yes Yes Yes General purpose...
7 KB (243 words) - 21:36, 4 February 2024
architecture, modules termed SAMSON Elements Proprietary, gratis SAMSON Connect Scigress Yes Yes Yes Yes No No Yes Yes No MM, DFT, semiempirical methods, parallel...
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Interstage, Systemwalker, Symfoware Server, Glovia G2, Glovia On Demand, SCIGRESS Services Consulting, Customer support, Education Services, Managed Services...
4 KB (63 words) - 11:10, 26 July 2023
dynamics code SAMSON: interactive carbon nanotube modeling and simulation Scigress TubeASP Tubegen Wrapping Science portal Technology portal List of quantum...
7 KB (619 words) - 11:53, 31 May 2024
available, but the method is implemented in ORCA, in part, in Gaussian, and in SCIGRESS. To obtain good results, it is frequently necessary to fit the parameters...
2 KB (305 words) - 22:11, 15 July 2022