Messages

1

Input files and parameters / Makegrid

« on: 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

« on: April 10, 2018, 08:50:56 AM »

Thank David. Using the latest version, I have resolve the issue.

3

Output files / ENERGY DRIFT

« on: 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