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 exec
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 prefere
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
behalf of Robert
Gordon
Sent: Tuesday, April 4, 2017 17:58
To: ifeffit@millenia.cars.aps.anl.gov
Subject: Re: [Ifeffit] Conflicting FEFF calculation
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
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:
C:/Users/ragordon/AppData/Roaming/DemeterPerl/perl/s
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 wha
Robert, thanks for doing so much work to verify what Ashis is seeing.
That said, I am still not seeing this problem. My working notion is
that it is a problem that somehow got fixed while I was doing some other
work a few months ago.
This morning, I prepared and uploaded a new installer pa
Hi Ashis,
I can reproduce what you are seeing.
I exported the atoms.inp's for your two structures.
If I import TAA first and run atoms, it looks ok. I then import TPA and
run - ok.
I re-run Atoms on TAA, it changes.
In fact, from a clean start of Artemis 0.9.25 on win10pro/AMD64, if I
import
Dear Bruce,
Sorry for late reply. I wanted to test in another computer before
replying. Unfortunately, this time also I got different results for TAA.
Following is the click by click description of what I am doing to arrive
in this state:
Double click on “Atemis” shortcut on desktop => Click
On 03/27/2017 11:02 AM, Ashis Biswas wrote:
Thank you very much for your reply. Here I am attaching two Artemis
projects files (TAA_TPA and TPA_TAA), named according to their order of
import. In my computer the paths for *TAA* are different in two project
files. For example, i) in TAA_TPA project
On 03/21/2017 09:10 AM, Ashis Biswas wrote:
I have a problem of conflicting FEFF calculation for
tris(acetate-O)arsenic [As(OCOCH3)3] (TAA) and tris(phenyl thio)arsenic
[As(SC6H5)3] (TPA); respective cif and atom input files are attached. In
Artemis, when I import TAA after TPA, the paths obtaine
Dear All,
I have a problem of conflicting FEFF calculation for
tris(acetate-O)arsenic [As(OCOCH3)3] (TAA) and tris(phenyl thio)arsenic
[As(SC6H5)3] (TPA); respective cif and atom input files are attached. In
Artemis, when I import TAA after TPA, the paths obtained for TAA from
FEFF calculatio
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