January 2017 Archives by subject

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Starting: Mon Jan 2 20:12:18 CET 2017
Ending: Wed Jan 25 04:37:25 CET 2017
Messages: 22

[molpro-user] Bug report: out-of-plane constraint units, including incorrect conversion to radians using the angstrom-to-bohr factor Lauria, Kshitij
[molpro-user] Bug report: out-of-plane constraint units, including incorrect conversion to radians using the angstrom-to-bohr factor Lauria, Kshitij
[molpro-user] CASPT2 memory required in input 貓...
[molpro-user] CASPT2 memory required in input 貓...
[molpro-user] Discrepancy in energy values Bhargava Anusuri
[molpro-user] Discrepancy in energy values Peterson, Kirk
[molpro-user] Discrepancy in energy values Susi Lehtola
[molpro-user] Double minima problem of CaF ground state with MRCI 侯世林
[molpro-user] Double minima problem of CaF ground state with MRCI Peterson, Kirk
[molpro-user] Double minima problem of CaF ground state with MRCI 侯世林
[molpro-user] Error in molpro S. M.
[molpro-user] Error in molpro Klaus Doll
[molpro-user] Hello, I am new user of molpro2010.1 package and have a question about controlling the number of virtual orbitals in MCSCF calculation. 이인성 (화학과)
[molpro-user] Limitation for number of active orbitals in RS2 in Molpro 2015.1 Werner Győrffy
[molpro-user] Molpro energy variables at MRCI-F12 Cayo Emilio
[molpro-user] Numerical Freq calculations using F12-CCSD(T) John Travers
[molpro-user] Numerical Freq calculations using F12-CCSD(T) Werner Győrffy
[molpro-user] Numerical Freq calculations using F12-CCSD(T) John Travers
[molpro-user] Numerical Freq calculations using F12-CCSD(T) Werner Győrffy
[molpro-user] Numerical Freq calculations using F12-CCSD(T) Werner Győrffy
[molpro-user] regarding error sanchit chhabra
[molpro-user] regarding error Peterson, Kirk

Last message date: Wed Jan 25 04:37:25 CET 2017
Archived on: Wed Jan 25 09:24:27 CET 2017

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