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Messages - Daqiang

#1
Input files and parameters / Makegrid
April 24, 2018, 02:34:24 PM
Dear David,

When FEYNMAN HIBBS LENNARD JONES was used, is the Makegrid still working?

Thanks,
Daqiang
#2
Output files / Re: ENERGY DRIFT
April 10, 2018, 08:50:56 AM
Thank David. Using the latest version, I have resolve the issue.
#3
Output files / ENERGY DRIFT
April 07, 2018, 03:08:37 PM
Hi Dr Dubbeldam:
   I used the RASPA2.0.3 to simulate the isotherm of acetylene. However, when the pressure is higher than about 1500 Pa, I got a warning in the output file.
   
Simulation finished,  1 warnings
WARNING: ENERGY DRIFT (INTERNAL CONSISTENCY ERROR IN THE CODE), THE SIMULATION RESULTS ARE WRONG!!

How can I resolve the warning? Adding the NumberOfCycles?

Thanks,

Daqiang