January 2013 Archives by subject

• Messages sorted by: [ thread ] [ author ] [ date ]

Starting: Tue Jan 15 12:18:38 GMT 2013
Ending: Thu Jan 31 21:39:18 GMT 2013
Messages: 45

• [molpro-user] (no subject)   kamel alioua
• [molpro-user] A little confused about SO chapter   pauli
• [molpro-user] bsse Mg2   kamel alioua
• [molpro-user] bsse Mg2   Andy May
• [molpro-user] bsse Mg2   Ioannis Kerkines
• [molpro-user] CCSD(T) memory problem   sutay at itu.edu.tr
• [molpro-user] CCSD(T) memory problem   Andy May
• [molpro-user] CCSD(T) memory problem   sutay at itu.edu.tr
• [molpro-user] conical intersection   Antonio Carlos Borin
• [molpro-user] FW: MOLPRO problem ---- Too many records   Hrusak Jan
• [molpro-user] FW: MOLPRO problem ---- Too many records   Martin Diefenbach
• [molpro-user] Fwd: Request for solve of problem (Molpro)   Abolfazl Shiroudi
• [molpro-user] installing molpro on a cray XE6 machine   Shachar Klaiman
• [molpro-user] installing molpro on a cray XE6 machine   Jeff Hammond
• [molpro-user] memory problem (leak)   Eric Cotton
• [molpro-user] parallel UCCSD error: ? Field YZMAT not defined in mpp_state=2   Jiahao Chen
• [molpro-user] Problem in LMP2 calculations   Moilanen Jani
• [molpro-user] Problem in LMP2 calculations   Andy May
• [molpro-user] Problem in LMP2 calculations   Andy May
• [molpro-user] Problem linking Molpro exe   Attila Bende
• [molpro-user] Problem linking Molpro exe   Andy May
• [molpro-user] problem with molproView   Shachar Klaiman
• [molpro-user] Problem with the calculations of CCSD(T) & CASSCF for benzene   Abolfazl Shiroudi
• [molpro-user] Problem with the calculations of CCSD(T) & CASSCF for benzene   Wanyi Jiang
• [molpro-user] Problem with the calculations of CCSD(T) & CASSCF for benzene   Abolfazl Shiroudi
• [molpro-user] Question about "frequency"   pauli
• [molpro-user] RHF not converged   Benjamin Fitzpatrick
• [molpro-user] RHF not converged.   sonvinh.nguyen at chem.kuleuven.be
• [molpro-user] RHF not converged.   Andy May
• [molpro-user] RHF not converged.   Andy May
• [molpro-user] Same input - different ORBITALS   Joaquim Jornet Somoza
• [molpro-user] some question about CI   molpro_user
• [molpro-user] symmetry contanimation and elimination of rotations (mcscf)   Yurii Vlasov
• [molpro-user] symmetry contanimation and elimination of rotations (mcscf)   Peter Knowles
• [molpro-user] TDDFT Cannot find basis set data   Enrico Bodo
• [molpro-user] TDDFT Cannot find basis set data   Andreas Hesselmann
• [molpro-user] UCCSD(T) numerical gradient failing in rhfpro   Matt Addicoat
• [molpro-user] UCCSD(T) numerical gradient failing in rhfpro   Terry Frankcombe
• [molpro-user] UCCSD(T) numerical gradients failing in rhfpro   Matt Addicoat
• [molpro-user] Unclear failure of two molpro tests, ch2_rs2_f12.test and lif_nacme_bo.test   Evgeniy Gromov
• [molpro-user] Unclear failure of two molpro tests, ch2_rs2_f12.test and lif_nacme_bo.test   Andy May
• [molpro-user] Unclear failure of two molpro tests, ch2_rs2_f12.test and lif_nacme_bo.test   Evgeniy Gromov
• [molpro-user] Unclear failure of two molpro tests, ch2_rs2_f12.test and lif_nacme_bo.test   Andy May
• [molpro-user] Unclear failure of two molpro tests, ch2_rs2_f12.test and lif_nacme_bo.test   Jeff Hammond
• [molpro-user] using SAVEACT when using BMAT   Shachar Klaiman

Last message date: Thu Jan 31 21:39:18 GMT 2013
Archived on: Fri Apr 4 12:08:48 BST 2014

• Messages sorted by: [ thread ] [ author ] [ date ]