jjppeters / cif2xyz

Converts .cif files to .xyz files

🎓 Who?

A researcher passionate about all things electron microscopy. Creator of new hardware and software to increase capabilties and sustainability of electron microscopes, with experience in high-speed electronics, FPGAs and integration into powerful but usable software. Someone not afraid to question the conventional wisdom and reevaluate what is possible with modern tools.

🏰 Where?

The Trinity College Dublin Ultramicroscopy Research Group, previously in the Warwick University Microscopy Group. Physically located in the Advanced Microscopy Laboratory.

            ;

🔬 What?

                   

Other experience with Matlab, TCL, C#, HTML, CSS, PHP, CUDA.

📟 How?

                           

⌚ When?

Now.

Do it.

cif2xyz's Issues

No installation help

Your tool seems useful to me. I can however not succeed compiling it.

-> I installed eigen3 using
'sudo apt install libeigen3-dev'

-> I started compiling with
cmake .
make

Error:
[ 12%] Building CXX object CMakeFiles/cif2xyz.dir/main.cpp.o
In file included from /home/jovbever/Codes/CIF2XYZ/reader.h:18:0,
from /home/jovbever/Codes/CIF2XYZ/main.cpp:10:
/home/jovbever/Codes/CIF2XYZ/utilities.h:19:14: error: expected ‘{’ before ‘::’ token
namespace CIF::Utilities {
^
/home/jovbever/Codes/CIF2XYZ/utilities.h:19:16: error: ‘Utilities’ in namespace ‘::’ does not name a type
namespace CIF::Utilities {
^
/home/jovbever/Codes/CIF2XYZ/main.cpp:282:1: error: expected ‘}’ at end of input
}
^
CMakeFiles/cif2xyz.dir/build.make:62: recipe for target 'CMakeFiles/cif2xyz.dir/main.cpp.o' failed
make[2]: *** [CMakeFiles/cif2xyz.dir/main.cpp.o] Error 1
CMakeFiles/Makefile2:67: recipe for target 'CMakeFiles/cif2xyz.dir/all' failed
make[1]: *** [CMakeFiles/cif2xyz.dir/all] Error 2
Makefile:83: recipe for target 'all' failed
make: *** [all] Error 2