https://kdm.wcss.pl/w/index.php?title=GV-Molcas&feed=atom&action=historyGV-Molcas - Historia wersji2024-03-29T11:47:47ZHistoria wersji tej strony wikiMediaWiki 1.35.2https://kdm.wcss.pl/w/index.php?title=GV-Molcas&diff=4427&oldid=prevJusta: Utworzono nową stronę "Molcas Grid/Geometry Viewer/Editor (GV) is an OpenGL based code for visualization of molecular orbitals and densities, density differences and sp in-densities, and visua..."2014-03-05T10:31:50Z<p>Utworzono nową stronę "Molcas Grid/Geometry Viewer/Editor (GV) is an OpenGL based code for visualization of molecular orbitals and densities, density differences and sp in-densities, and visua..."</p>
<p><b>Nowa strona</b></p><div>Molcas Grid/Geometry Viewer/Editor (GV) is an OpenGL based code for visualization of molecular orbitals and densities, density differences and sp in-densities, and visualization of molecular structures (with the possibility to manipulate them on the screen), and visualiza-tion of some properties.<br />
<br />
GV can operate with different kinds of files:<br />
•grid files (usually with extension grid) (generated by the program GRID IT),<br />
•XYZ files,<br />
•molden files, generated by Molcas.<br />
If a file name is specified in a command line, GV will determine the type of the file, and switch to the appropriate mode. If no file is specified,<br />
GV will search the current directory for files with a known type. GV can run as a ordinary Molcas module (via command molcas gv filename), or as a stand<br />
alone executable.</div>Justa