Normal topic
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SIGSEGV: Segmentation fault - invalid memory reference. by khalilian on Tue, 10/05/2022 - 15:09 |
Py-ChemShell |
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install error (no liblapack) by GFHao on Fri, 29/04/2022 - 02:58 |
Py-ChemShell |
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Couldn't find gradient in Gaussian output by pmerino on Wed, 27/04/2022 - 13:07 |
Tcl-ChemShell |
Normal topic
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QM/MM calculation with Gaussian16&Amber16 by GFHao on Fri, 01/04/2022 - 02:54 |
Py-ChemShell |
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Calculating energies with NAMD (MM or QM/MM) by ran_friedman on Wed, 30/03/2022 - 15:11 |
Py-ChemShell |
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How to use 'masses' when doing numeric frequency by deng on Mon, 14/03/2022 - 09:07 |
Tcl-ChemShell |
Normal topic
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Microiterative optimizations with ORCA QM/MM by wasabiko on Wed, 09/02/2022 - 11:44 |
Py-ChemShell |
Normal topic
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Creating clusters from cif files by asoyemi on Fri, 14/01/2022 - 16:41 |
Py-ChemShell |
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IRC by pmerino on Mon, 13/09/2021 - 10:20 |
Tcl-ChemShell |
Normal topic
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How to deal with LonePair in Drude SWM4 water model by Chenjinfeng on Tue, 06/07/2021 - 11:31 |
Tcl-ChemShell |
Normal topic
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TS search Dimer by pmerino on Wed, 31/03/2021 - 15:16 |
Tcl-ChemShell |
Normal topic
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theory=restraint by pmerino on Mon, 11/01/2021 - 19:55 |
Tcl-ChemShell |
Normal topic
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Error is setup script by Levi Keller on Sat, 03/10/2020 - 15:46 |
Py-ChemShell |
Normal topic
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How to generate Fragment file with pair of connections listed by helloworld on Mon, 29/06/2020 - 14:51 |
ChemShell project |
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PRFO TS optimisation getting intermediate structure by helloworld on Wed, 24/06/2020 - 08:03 |
ChemShell project |
Normal topic
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Py-ChemShell Compile Error with GULP by shaychaudhuri on Tue, 10/12/2019 - 09:37 |
Py-ChemShell |
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About Rate Calculations by tyrion on Thu, 16/05/2019 - 04:03 |
Tcl-ChemShell |
Normal topic
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the parameters setting about substrate by yueyue on Wed, 24/04/2019 - 13:46 |
ChemShell project |