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  • MeilensteinEqual: ver0.1 (closed)
  • StatusEqual: Geschlossen
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IDEröffnet amLetztes UpdateZusammenfassungVerantwortlicherAuswertungTypMeilensteinKomponentePrioritätSchweregradStatusLösung
269912011-12-22 00:512011-12-31 17:41don't return vecot-containermikiya_fujiimikiya_fujiiFehlerver0.1 (closed)77GeschlossenKeine
269702011-12-20 13:562011-12-22 05:44Error handling of omp-regionmikiya_fujiimikiya_fujiiFehlerver0.1 (closed)75 - MittelGeschlossenGefixt
270122011-12-26 11:582011-12-31 16:51Tester for ver0.1mikiya_fujiimikiya_fujiiFunktionsanfragenver0.1 (closed)66GeschlossenGefixt
267172011-11-10 08:112011-11-11 20:19Separate *.cpp from *.hmikiya_fujiimikiya_fujiiFunktionsanfragenver0.1 (closed)65 - MittelGeschlossenGefixt
269162011-12-09 22:572011-12-10 05:03PDDG/PM3mikiya_fujiimikiya_fujiiFunktionsanfragenver0.1 (closed)5 - Mittel5 - MittelGeschlossenGefixt
267242011-11-10 22:222011-12-12 21:02error handling in RealSphericalHarmonicsIndex.cppmikiya_fujiimikiya_fujiiFunktionsanfragenver0.1 (closed)5 - Mittel5 - MittelGeschlossenGefixt
266672011-11-03 07:102011-11-03 20:21Force for multi-surfacesmikiya_fujiimikiya_fujiiFunktionsanfragenver0.1 (closed)5 - Mittel5 - MittelGeschlossenGefixt
266372011-10-27 01:312011-11-03 03:07Error log in Atom::GetNddoAlphamikiya_fujiimikiya_fujiiFunktionsanfragenver0.1 (closed)5 - Mittel4GeschlossenGefixt
266302011-10-26 17:152011-11-25 02:36PM3(CIS) analytic forcesmikiya_fujiimikiya_fujiiFunktionsanfragenver0.1 (closed)5 - Mittel5 - MittelGeschlossenGefixt
266292011-10-26 17:152011-11-03 02:58PM3(CIS)mikiya_fujiimikiya_fujiiFunktionsanfragenver0.1 (closed)5 - Mittel5 - MittelGeschlossenGefixt
266282011-10-26 17:142011-10-28 00:34PM3(HF) analytic forces.mikiya_fujiimikiya_fujiiFunktionsanfragenver0.1 (closed)5 - Mittel5 - MittelGeschlossenGefixt
266272011-10-26 17:142011-10-28 00:34PM3(HF)mikiya_fujiimikiya_fujiiFunktionsanfragenver0.1 (closed)5 - Mittel5 - MittelGeschlossenGefixt
266262011-10-26 17:132011-11-25 02:36AMI(CIS) analytic forcemikiya_fujiimikiya_fujiiFunktionsanfragenver0.1 (closed)5 - Mittel5 - MittelGeschlossenGefixt
266252011-10-26 17:132011-11-03 02:59AMI(CIS)mikiya_fujiimikiya_fujiiFunktionsanfragenver0.1 (closed)5 - Mittel5 - MittelGeschlossenGefixt
266242011-10-26 17:122011-10-27 21:38AMI(HF) analytic forcesmikiya_fujiimikiya_fujiiFunktionsanfragenver0.1 (closed)5 - Mittel5 - MittelGeschlossenGefixt
266232011-10-26 17:112011-10-27 21:35AMI(HF)mikiya_fujiimikiya_fujiiFunktionsanfragenver0.1 (closed)5 - Mittel5 - MittelGeschlossenGefixt
266202011-10-26 02:562011-10-26 03:06MNDO(derived parameters) mikiya_fujiimikiya_fujiiFehlerver0.1 (closed)5 - Mittel4GeschlossenGefixt
265822011-10-21 22:262011-10-21 22:29ZindoS(HF) - bug in analytic force calculationmikiya_fujiimikiya_fujiiFehlerver0.1 (closed)5 - Mittel3GeschlossenGefixt
264832011-10-08 01:552011-10-08 17:23Zindo(HF) Analytic Force without GTO expansion techniquemikiya_fujiimikiya_fujiiFunktionsanfragenver0.1 (closed)5 - Mittel5 - MittelGeschlossenKeine
264822011-10-08 01:542011-10-08 10:23First derivative of overlap matrix (without GTO expansion technique)mikiya_fujiimikiya_fujiiFunktionsanfragenver0.1 (closed)5 - Mittel5 - MittelGeschlossenGefixt
264312011-09-29 21:052011-09-29 23:26CISコンディションの表示条件mikiya_fujiimikiya_fujiiFunktionsanfragenver0.1 (closed)5 - Mittel5 - MittelGeschlossenGefixt
263972011-09-25 23:312011-10-07 02:14MD (velocity verlet)mikiya_fujiimikiya_fujiiFunktionsanfragenver0.1 (closed)5 - Mittel5 - MittelGeschlossenGefixt
263962011-09-25 23:302011-11-25 02:35MNDO(CIS) Analytic Forcemikiya_fujiimikiya_fujiiFunktionsanfragenver0.1 (closed)5 - Mittel5 - MittelGeschlossenGefixt
263952011-09-25 23:302011-10-22 02:16MNDO(HF) Analytic Forcemikiya_fujiimikiya_fujiiFunktionsanfragenver0.1 (closed)5 - Mittel5 - MittelGeschlossenGefixt
263942011-09-25 23:292011-11-03 02:58MNDO(CIS)mikiya_fujiimikiya_fujiiFunktionsanfragenver0.1 (closed)5 - Mittel5 - MittelGeschlossenGefixt
263932011-09-25 23:292011-10-19 22:15MNDO(HF)mikiya_fujiimikiya_fujiiFunktionsanfragenver0.1 (closed)5 - Mittel5 - MittelGeschlossenGefixt
263922011-09-25 23:282011-10-08 10:35Zindo(HF) Analytci Fourcemikiya_fujiimikiya_fujiiFunktionsanfragenver0.1 (closed)5 - Mittel5 - MittelGeschlossenGefixt
263912011-09-25 23:262011-11-28 05:02MO表示mikiya_fujiimikiya_fujiiFunktionsanfragenver0.1 (closed)5 - Mittel5 - MittelGeschlossenGefixt
263892011-09-25 23:242011-09-28 01:13AOの重なり積分(GTO展開)mikiya_fujiimikiya_fujiiFunktionsanfragenver0.1 (closed)5 - Mittel5 - MittelGeschlossenGefixt
269172011-12-10 01:512011-12-10 05:58typo for error logmikiya_fujiimikiya_fujiiFehlerver0.1 (closed)44GeschlossenGefixt
265782011-10-20 20:232011-10-26 17:24rename:Cndo2::CalcRotatingMatrixFirstDerivativemikiya_fujiimikiya_fujiiFehlerver0.1 (closed)44GeschlossenGefixt
268252011-11-28 03:462011-12-12 17:47delete bondingAdjustParameterKmikiya_fujiimikiya_fujiiFehlerver0.1 (closed)22GeschlossenGefixt
267482011-11-15 06:562011-12-12 21:17Rename Cndo2::CalcElecEnergymikiya_fujiimikiya_fujiiFunktionsanfragenver0.1 (closed)23GeschlossenGefixt
267472011-11-15 06:522011-12-12 21:15Rename Cndo2::elecEnergymikiya_fujiimikiya_fujiiFunktionsanfragenver0.1 (closed)24GeschlossenGefixt
267442011-11-15 00:012011-12-12 21:28Rename arguments in CalcCISMatrixmikiya_fujiimikiya_fujiiFunktionsanfragenver0.1 (closed)24GeschlossenGefixt