June 2016 Archives by thread

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

Starting: Wed Jun 1 13:11:33 CEST 2016
Ending: Thu Jun 30 19:25:54 CEST 2016
Messages: 25

• [molpro-user] Failure of convergence in CP-MCSCF NACM   BELLSHAW Darren
• [molpro-user] Failure of analying the compositions of BEs in DFT-SAPT   wu150677 at yahoo.com
• [molpro-user] CCSD(T) calculation   CheikhTidiane BOP
  • [molpro-user] CCSD(T) calculation   Grant Hill
  • [molpro-user] CCSD(T) calculation   CheikhTidiane BOP
    • [molpro-user] CCSD(T) calculation   Grant Hill
  • [molpro-user] CCSD(T) calculation   CheikhTidiane BOP
  • [molpro-user] CCSD(T) calculation   Kirk Peterson
    • [molpro-user] CCSD(T) calculation   CheikhTidiane BOP
• [molpro-user] NEVPT2 - arg of npos too large   Alexander Mitrushchenkov
  • [molpro-user] NEVPT2 - arg of npos too large   Peter Burger
• [molpro-user] DFT-SAPT   wu150677 at yahoo.com
• [molpro-user] vir_orb in cis   Shachar Klaiman
• [molpro-user] problem reg. the unit of derivative coupling and gradient of energy difference   Jyotirmoy Ray
• [molpro-user] unreasonable norm in UCCSD(T)   Marissa Weichman
  • [molpro-user] unreasonable norm in UCCSD(T)   Tatiana Korona
• [molpro-user] Error in CASSCF calculation in Molpro2015   Matthias Roos
  • [molpro-user] Error in CASSCF calculation in Molpro2015   Peter Knowles
• [molpro-user] spin eigenfunction   Somnath Bhowmick
• [molpro-user] LS Integral format via MATROP   Murphy, Paul
  • [molpro-user] LS Integral format via MATROP   Alexander Mitrushchenkov
• [molpro-user] Coupled-perturbed MCSCF optimization   Hoffman, Gerald
• [molpro-user] CASSCF-optg-Problem   reza omidyan
  • [molpro-user] CASSCF-optg-Problem   Klaus Doll
• [molpro-user] Bond lengths variables names   Cayo Emilio

Last message date: Thu Jun 30 19:25:54 CEST 2016
Archived on: Thu Jun 30 19:33:40 CEST 2016

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