Recent changes to bugs

#19 NWChem 6.3 doesn't work with PUPIL2.0 properly

Juan Torras — Tue, 04 Nov 2014 20:31:18 -0000

status: open --> closed

#18 PUPIL does not run properly with Java 1.7.

Juan Torras — Tue, 04 Nov 2014 20:25:40 -0000

status: open --> closed

#17 PupilServer stops when QM zone is made with one atom alone and using the Gaussian program.

Juan Torras — Tue, 04 Nov 2014 20:17:57 -0000

status: open --> closed

#16 Java error when the "new" item is pressed on Jmol application

Juan Torras — Tue, 04 Nov 2014 20:14:26 -0000

status: open --> closed

NWChem 6.3 doesn't work with PUPIL2.0 properly

Juan Torras — Wed, 23 Apr 2014 10:02:44 -0000

When electrostatic embedding is performed using recent versions of NWChem (v6.3) a wrong behaviour with the PUPIL 2.0 is observed. On the other side, NWChem 6.1.1 does not show this error. It seems that on the recent versions of NWChem have changed the way on that point charges are written on the input file. A new specialized input file writer should be added to avoid this problem.

NWChem 6.3 doesn't work with PUPIL2.0 properly

Juan Torras — Wed, 23 Apr 2014 10:02:44 -0000

Ticket 19 has been modified: NWChem 6.3 doesn't work with PUPIL2.0 properly
Edited By: Juan Torras (jtorras)
Status updated: u'open' => u'closed'

PUPIL does not run properly with Java 1.7.

Juan Torras — Sat, 08 Mar 2014 22:29:04 -0000

PUPIL does not compile with Java 1.7 by showing some errors involving JComboBox class from Java 1.6 which seems incompatible with the new JComboBox class on 1.7 version.
After PUPIL code correction, additional problems are observed at running time when file coordinates are read on the AMBER-PUPIL interface that stops execution.

Java 1.6 version does not show this issue.

PUPIL does not run properly with Java 1.7.

Juan Torras — Sat, 08 Mar 2014 22:29:04 -0000

Ticket 18 has been modified: PUPIL does not run properly with Java 1.7.
Edited By: Juan Torras (jtorras)
Status updated: u'open' => u'closed'

PupilServer stops when QM zone is made with one atom alone and using the Gaussian program.

Juan Torras — Thu, 14 Nov 2013 21:15:41 -0000

When a simulation involves only one atom alone on the QM zone and being calculated with the Gaussian program (G03 version), the simulation stops abruptly when parsing Gaussian output File. More specifically, when parsing Force Field values on the point charges wrapping the QM zone.

PupilServer stops when QM zone is made with one atom alone and using the Gaussian program.

Juan Torras — Thu, 14 Nov 2013 21:15:41 -0000

Ticket 17 has been modified: PupilServer stops when QM zone is made with one atom alone and using the Gaussian program.
Edited By: Juan Torras (jtorras)
Status updated: u'open' => u'closed'