Du wang

Hi @calvinp0 ,thank you so much, it works! But after I installed the dependencies, ARC could not run, and gave the following information, do you have any ideal how to...

Thank you for your reply, I have checked the scan and found that the scan broke the Transition state, making the peak and valley not equal. And the energy is...

 97 cm/s discrepancy at P = 18 atm and Tu = 781 K. ref: Combustion and Flame, 194 (2018) 175-179  more obvious effect at flame initial stage ref:...

Did you modified the code by yourself so you have the extenstion folder? It seems the some errors came from the extensions folder. I don't think it is caused by...

Thank you for your reply professor. I read this page, but I think DVODE need to be compiled alone. As they show "ODEPACK is a collection of Fortran solvers for...

I tried to adopted DVODE solver after compiling the odepack, but laminarSOMKE aborted and showed "The solver was compiled without the DVODE support. Please choose a different ODE solver"

Hi @moritzBens, Thank you for your kind reply, I am trying to compiling Serenity now, I will try your solution latter

Hi @ @moritzBens, I have successfully compiled the serenity and replace the file with your guidance, but same no attribute error was occurred, my serenipy (0.2.6) was installed from pip,...

Hi @moritzBens Thank you for your help, but again, I got some other error during the calculation, "Traceback (most recent call last): File "consistent_active_orbital_spaces.py", line 348, in main(os.path.dirname(os.path.abspath(__file__))) File "consistent_active_orbital_spaces.py",...