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