Re: [Ifeffit] Conflicting FEFF calculation

2017-04-04 Thread Robert Gordon
Actually, I just created C:\Strawberry\c\bin and copied gnuplot directorythat worked Changing demeter.ini more elegant though, and starts just as happily... Had to change the Feff6 path in the ini as well or program would crash on loading a project file i.e. log stated : The feff

Re: [Ifeffit] Conflicting FEFF calculation

2017-04-04 Thread Bruce Ravel
On 04/04/2017 01:42 PM, Ashis Biswas wrote: In the new pre-release version of Artemis I am getting similar paths for TAA regardless of the order of import. Therefore, the problem does not exist anymore. Thank you very much for your time and help. Whew! I was getting worried about that one! B

Re: [Ifeffit] Conflicting FEFF calculation

2017-04-04 Thread Bruce Ravel
On 04/04/2017 11:58 AM, Robert Gordon wrote: Seems to be looking for gnuplot in the wrong location. Gnuplot was installed to: C:\Users\ragordon\AppData\Roaming\DemeterPerl\c\bin\gnuplot not C:\Strawberry... Drat! I thought I had that working correctly. You can manually fix that in the

Re: [Ifeffit] Conflicting FEFF calculation

2017-04-04 Thread Ashis Biswas
Dear Robert and Bruce, Thank you very much for your explanation and time; I am grateful for that. I will test the problem with new version and report back as soon as possible. With regards, Ashis On 2017-04-04 16:07, Bruce Ravel wrote: Robert, thanks for doing so much work to verify

Re: [Ifeffit] Conflicting FEFF calculation

2017-04-04 Thread Robert Gordon
Hi Bruce, Issues with the pre-release. Log file attached. Seems to be looking for gnuplot in the wrong location. Gnuplot was installed to: C:\Users\ragordon\AppData\Roaming\DemeterPerl\c\bin\gnuplot not C:\Strawberry... also, log has this:

Re: [Ifeffit] Conflicting FEFF calculation

2017-04-04 Thread Ashis Biswas
Dear Bruce, In the new pre-release version of Artemis I am getting similar paths for TAA regardless of the order of import. Therefore, the problem does not exist anymore. Thank you very much for your time and help. With regards, Ashis From: Ifeffit