User contributions
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- 14:10, 19 April 2022 (diff | hist) . . (+260) . . SW:Desmond (→Running Desmond in the Portal) (current)
- 23:22, 10 March 2022 (diff | hist) . . (0) . . SW:OpenMolcas (→Terra Example Job file) (current)
- 12:34, 2 March 2022 (diff | hist) . . (+2) . . HPRC:Access:MacOSX (current)
- 12:34, 2 March 2022 (diff | hist) . . (+2) . . HPRC:Access:MacOSX
- 21:51, 27 January 2022 (diff | hist) . . (+3,774) . . N SW:OpenMolcas (Created page with "=OpenMolcas= __TOC__ ==Description== OpenMolcas is an open source quantum chemistry code that focuses on multiconfigurational approaches, with methods like CASSCF and CASSPT...")
- 17:16, 20 December 2021 (diff | hist) . . (-96) . . SW:Gaussian (→Terra Example Job file) (current)
- 12:09, 8 December 2021 (diff | hist) . . (+6) . . SW:QuantumESPRESSO (→Ada Example Job file) (current)
- 12:06, 8 December 2021 (diff | hist) . . (+6) . . SW:QuantumESPRESSO (→Terra Example Job file)
- 12:06, 8 December 2021 (diff | hist) . . (+6) . . SW:QuantumESPRESSO (→Grace Example Job file)
- 09:49, 8 November 2021 (diff | hist) . . (+473) . . SW:MOE (→Using MOE) (current)
- 17:21, 1 November 2021 (diff | hist) . . (-57) . . SW:MOE (→Running Schrödinger on Terra)
- 17:03, 1 November 2021 (diff | hist) . . (+1,491) . . N SW:MOE (Created page with " ---- __NOTOC__ =MOE= '''MOE is a restricted software.''' Usage of this software is restricted only to subscribers of the HPRC-[https://lms.hprc.tamu.edu/ Laboratory for M...")
- 10:39, 25 October 2021 (diff | hist) . . (+299) . . SW:Schrodinger (current)
- 15:30, 12 October 2021 (diff | hist) . . (+40) . . SW:Desmond (→Running Desmond in the Portal)
- 15:27, 12 October 2021 (diff | hist) . . (+627) . . SW:Schrodinger
- 17:43, 11 October 2021 (diff | hist) . . (0) . . SW:Desmond (→Running Desmond in the Portal)
- 17:42, 11 October 2021 (diff | hist) . . (+64) . . SW:Desmond (→Running Desmond in the Portal)
- 10:12, 11 October 2021 (diff | hist) . . (+5) . . SW:Desmond
- 16:02, 8 October 2021 (diff | hist) . . (-27) . . SW:Desmond
- 15:53, 8 October 2021 (diff | hist) . . (+716) . . SW:Desmond
- 18:18, 6 October 2021 (diff | hist) . . (-1,049) . . SW:Desmond
- 16:54, 6 October 2021 (diff | hist) . . (+2,246) . . N SW:Desmond (Created page with "=Desmond= __TOC__ ==Description== For more information, visit the [https://www.deshawresearch.com/resources_desmond.html Desmond].<br /> ==Access== Access to ORCA is gran...")
- 10:41, 4 October 2021 (diff | hist) . . (+256) . . SW:ORCA (→Access) (current)
- 09:52, 4 October 2021 (diff | hist) . . (-47) . . SW:EasyMECP (→Terra Example Job file) (current)
- 16:37, 29 September 2021 (diff | hist) . . (-35) . . SW:EasyMECP (→Grace Example Job file)
- 16:39, 28 September 2021 (diff | hist) . . (+36) . . SW:EasyMECP
- 16:38, 28 September 2021 (diff | hist) . . (+890) . . SW:EasyMECP
- 16:23, 28 September 2021 (diff | hist) . . (+40) . . SW:EasyMECP (→Terra Example Job file)
- 16:22, 28 September 2021 (diff | hist) . . (+7) . . SW:EasyMECP (→Terra Example Job file)
- 16:21, 28 September 2021 (diff | hist) . . (+53) . . SW:EasyMECP (→Terra Example Job file)
- 16:21, 28 September 2021 (diff | hist) . . (+38) . . SW:EasyMECP (→Terra Example Job file)
- 09:16, 28 September 2021 (diff | hist) . . (+7) . . SW:EasyMECP (→Access)
- 09:16, 28 September 2021 (diff | hist) . . (+6) . . SW:EasyMECP (→Description)
- 09:15, 28 September 2021 (diff | hist) . . (+3,056) . . N SW:EasyMECP (Created page with "=EasyMECP= __TOC__ ==Description== EasyMECP is a single-file, self-contained Python script for performing MECP (Minimum Energy Crossing Point) with Gaussian. It used the ori...")
- 13:28, 24 September 2021 (diff | hist) . . (+96) . . LMS (→Software and Traning) (current)
- 13:24, 24 September 2021 (diff | hist) . . (+137) . . LMS (→Software and Traning)
- 13:22, 24 September 2021 (diff | hist) . . (+1,928) . . LMS (→Software and Traning)
- 13:06, 24 September 2021 (diff | hist) . . (+210) . . LMS (→Hardware)
- 13:03, 24 September 2021 (diff | hist) . . (+242) . . LMS (→Hardware)
- 12:09, 24 September 2021 (diff | hist) . . (+25) . . LMS
- 12:07, 24 September 2021 (diff | hist) . . (+216) . . LMS (→Welcome to the Laboratory for Molecular Simulation)
- 14:02, 23 September 2021 (diff | hist) . . (+24) . . LMS
- 13:59, 23 September 2021 (diff | hist) . . (+1,837) . . N LMS (Created page with "=Welcome to the Laboratory for Molecular Simulation= __TOC__ ==Description== The Laboratory for Molecular Simulation (LMS) is Texas A&M University's core user facility for m...")
- 11:52, 23 September 2021 (diff | hist) . . (+6) . . SW:Compute Node Info (→Usage on the Compute Nodes) (current)
- 11:51, 23 September 2021 (diff | hist) . . (-948) . . SW:Amber (current)
- 16:30, 1 September 2021 (diff | hist) . . (+1,303) . . SW:QuantumESPRESSO (→Terra Example Job file)
- 16:19, 1 September 2021 (diff | hist) . . (+375) . . SW:QuantumESPRESSO (→Running Quantum ESPRESSO on Terra & Ada)
- 14:16, 18 August 2021 (diff | hist) . . (+130) . . SW:VASP (current)
- 11:57, 17 August 2021 (diff | hist) . . (+432) . . SW:ORCA (→Using xTB with ORCA)
- 08:43, 17 August 2021 (diff | hist) . . (+203) . . SW:GROMACS (→Loading the Module) (current)
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