Py-ChemShell
Topic | Replies | Views | Activity | |
---|---|---|---|---|
About the Py-ChemShell category
|
![]() |
0 | 168 | 13 September 2022 |
Py-ChemShell ./test FAILED
|
![]() ![]() ![]() ![]() |
5 | 55 | 11 July 2024 |
¿How can I use psi4 in chemshell?
|
![]() ![]() |
1 | 65 | 5 July 2024 |
Compiling Py-ChemShell-23.0.1 on RHEL Compatible OS
|
![]() ![]() |
22 | 173 | 4 June 2024 |
What is the license for the py-chemshell code?
|
![]() ![]() |
2 | 95 | 4 April 2024 |
Py-chemshell 21.0.3 test
|
![]() ![]() ![]() ![]() |
15 | 352 | 19 July 2023 |
Chemshell 21.0.3 compilation problem
|
![]() ![]() |
2 | 332 | 21 June 2023 |
Rate calculations with Py-ChemShell
|
![]() ![]() |
2 | 402 | 6 June 2023 |
Potential issue with chemsh --debug flag in Py-ChemShell 21.0.2 parallel version
|
![]() ![]() |
1 | 377 | 27 February 2023 |
Convert cluster object back to cif
|
![]() ![]() |
1 | 234 | 13 February 2023 |
Compiling Py-ChemShell 21.0 without pip
|
![]() |
0 | 350 | 20 October 2022 |