July 2005 Archives by subject

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Starting: Fri Jul 1 02:54:53 BST 2005
Ending: Sun Jul 31 13:57:15 BST 2005
Messages: 46

• [molpro-user] ?EXPECTATION VALUE AND EIGENVALUE NOT IDENTICAL   Wolfgang Eisfeld
• [molpro-user] Active orbitals limit   Xinzheng Yang
• [molpro-user] Active orbitals limit   Dr Seth OLSEN
• [molpro-user] Active orbitals limit   Xinzheng Yang
• [molpro-user] Active orbitals limit   Matt Thompson
• [molpro-user] C2 Symmetry - Permutation not found - Bug?   Joseph Lane
• [molpro-user] Compiling on IBM AIX 5.2 LAPI   Mehdi Bounouar
• [molpro-user] correlation energy contributions   Jacky LIEVIN
• [molpro-user] dissociating H2 molecule?   Julius T. Su
• [molpro-user] dissociating H2 molecule?   H. -J. Werner
• [molpro-user] EA calculation in molpro   Ding Xunlei
• [molpro-user] Enter hessian via matrop?   Dr Seth OLSEN
• [molpro-user] Failing tests on Opteron System.   Holger Naundorf
• [molpro-user] freezing orbitals in multi   Alister Page
• [molpro-user] help   Jyh-Shyong Ho
• [molpro-user] help   Nick Wilson
• [molpro-user] How to read orbitals file of other molpro jobs ?   Ding Xunlei
• [molpro-user] How to read orbitals file of other molpro jobs ?   Dr Seth OLSEN
• [molpro-user] inconsistent state numbering   William Chua
• [molpro-user] inconsistent state numbering   Yann P. Tambouret
• [molpro-user] Is UMP2 geometry optimization possible?   Li, Jun
• [molpro-user] Is UMP2 geometry optimization possible?   Brian
• [molpro-user] MOLPRO on Itanium cluster   S. V. K. Kumar
• [molpro-user] MOLPRO on Itanium cluster   Jyh-Shyong Ho
• [molpro-user] MOLPRO on Itanium cluster   Morimoto Kenji
• [molpro-user] MULTI RESTART   David Ambrosek
• [molpro-user] MULTI RESTART   Dr Seth OLSEN
• [molpro-user] MULTI RESTART   David Ambrosek
• [molpro-user] MULTI RESTART   Dr Seth OLSEN
• [molpro-user] open in uhf   Wang Mingwei
• [molpro-user] ORDCP: ERROR IN ASSIGNING SYMMETRY   Mario Tacconi
• [molpro-user] Reduce MolPro Overhead?   Dr Seth OLSEN
• [molpro-user] SA-MCSCF frequencies   Senosiain, Juan Pablo
• [molpro-user] SCF vs CASSCF orbitals   David Ambrosek
• [molpro-user] Segmented basis sets - which ones are they in the library?   Jim Kress
• [molpro-user] spacial extent <R**2>   Wolfgang Eisfeld
• [molpro-user] spacial extent <R**2>   H. -J. Werner
• [molpro-user] the MCRESTRICT special variable   Yann P. Tambouret
• [molpro-user] Triplet Phi State Configurations   MEYER EDMUND RICHARD
• [molpro-user] UHF guess orbitals   Garnet Chan
• [molpro-user] Weird error, has anyone seen this?   Yann P. Tambouret
• [molpro-user] why casscf not converge in an opt calculation in molpro   Ding Xunlei
• [molpro-user] why casscf not converge in an opt calculation in molpro   Dr Seth OLSEN
• [molpro-user] {SPAM}? convergence of conial optg   liuxj at iccas.ac.cn
• [molpro-user] {SPAM}? mcscf optimisation   Alister Page
• {SPAM}? [molpro-user] {SPAM}? mcscf optimisation   Dr Seth OLSEN

Last message date: Sun Jul 31 13:57:15 BST 2005
Archived on: Mon Aug 25 18:42:36 BST 2008

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