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View differences: Side by SideInline Go2022/11/10 08:58 werner [PNO methods:] 2022/11/10 08:56 werner [New features of MOLPRO2022.3] 2022/10/20 12:36 doll [GUI gmolpro version 2.1.0] 2022/10/20 12:36 doll [GUI gmolpro version 2.0.0] 2022/10/20 12:35 doll [GUI gmolpro version 2.x.x (upcoming)] 2022/10/17 06:45 doll [GUI gmolpro version 2.x.x (upcoming)] 2022/10/14 10:48 rauhut 2022/10/14 10:38 rauhut 2022/10/12 06:23 doll [GUI gmolpro version 2.x.x] 2022/09/21 13:14 doll [GUI gmolpro version 2.x.x] 2022/09/20 12:43 doll [GUI gmolpro version 2.x.x] 2022/09/20 12:36 doll [New features of MOLPRO2022.3] 2022/08/16 14:15 external edit2022/08/15 13:58 qianli [New features of MOLPRO2022.3] 2022/07/25 16:38 werner [New features of MOLPRO2022.4] 2022/07/25 16:38 werner [New features of MOLPRO2022.2] 2022/07/08 05:55 doll [GUI gmolpro version 2.0.0] 2022/07/06 09:02 doll [GUI gmolpro version 2.0.0] 2022/07/06 09:01 doll [GUI gmolpro version 2.0.0] 2022/07/06 08:58 doll [GUI gmolpro version 2.0.0] 2022/07/06 08:56 doll [GUI gmolpro version 2.0.0] 2022/07/06 08:45 doll [GUI gmolpro version 2.0.0] 2022/06/22 10:08 doll [New features of MOLPRO2022.2] 2022/06/22 10:00 doll typo2022/04/29 10:44 qianli [New features of MOLPRO2022.2] 2022/04/29 10:39 qianli [New features of MOLPRO2022.2] 2022/04/26 18:59 werner [New features of MOLPRO2022.2] 2022/04/26 18:52 werner [New features of MOLPRO2022.2] 2022/04/09 13:50 werner [Recent changes] 2022/02/20 08:18 werner [Update 2022.1.2] 2022/02/20 08:17 werner [New features of MOLPRO2022.1] 2022/02/04 08:04 doll [GUI gmolpro] 2022/02/04 08:02 doll [GUI gmolpro] 2022/02/04 07:57 doll [PNO-LCCSD] 2022/01/27 08:19 werner [MCSCF/CASSCF spin-orbit calculations (HLSMAT)] 2022/01/27 08:19 werner [SCF program] 2022/01/27 08:18 werner [MCSCF/CASSCF spin-orbit calculations (HLSMAT)] 2022/01/27 08:17 werner [MCSCF/CASSCF spin-orbit calculations (HLSMAT)] 2022/01/27 08:16 werner [MCSCF/CASSCF spin-orbit calculations (HLSMAT)] 2022/01/27 08:11 werner [MCSCF/CASSCF spin-orbit calculations (HLSMAT)] 2022/01/27 07:46 werner [SCF program] 2022/01/27 07:44 werner [SCF program] 2022/01/27 07:43 werner [SCF program] 2022/01/27 07:39 werner [SCF program] 2022/01/27 07:39 werner [SCF program] 2022/01/27 07:38 werner [SCF program] 2022/01/27 07:38 werner [SCF program] 2022/01/27 07:37 werner [SCF program] 2022/01/27 07:35 werner [SCF program] 2022/01/27 07:34 werner [SCF program] 2022/01/27 07:34 werner [SCF program] Go2024/02/08 13:18 doll 2.x.x becomes 2.3.02024/02/05 08:44 doll [GUI gmolpro 2.x.x] 2024/02/05 08:22 doll gmolpro. upcoming release2024/01/29 14:08 hesselmann [DFT funktional alias names] 2024/01/29 13:48 rmata [Nuclear-electronic orbital (NEO) methods] small typo2024/01/29 13:47 rmata [Nuclear-electronic orbital (NEO) methods] added link2024/01/29 13:41 rmata added NEO updates to the 2024.1 version2024/01/29 06:25 werner [Multi-Reference Coupled-Cluster (icMRCC)] 2024/01/29 06:25 werner [D4 dispersion correction] 2024/01/28 20:26 koehn [Internally Contracted Multireference Theory] 2024/01/28 20:26 koehn [Density-based basis set correction] 2024/01/28 19:54 werner [Density-based basis set correction] 2024/01/28 19:54 werner [iMolpro] 2024/01/28 19:53 werner [New features of MOLPRO2024.1] 2024/01/28 19:53 werner [Density-based basis set correction] 2024/01/28 19:37 werner [New features of MOLPRO2024.1] 2024/01/28 19:33 werner [New features of MOLPRO2024.1] 2024/01/28 19:29 werner [New features of MOLPRO2024.1] 2024/01/28 19:26 werner [New features of MOLPRO2023.1] 2024/01/08 13:24 external edit2023/10/12 08:35 doll [GUI gmolpro version 2.2.0] 2023/10/12 08:32 doll [Bug fixes in NEVPT2] 2023/10/05 12:56 peterk [New features of MOLPRO2023.1] 2023/09/11 14:16 werner [The CISPT2 method] 2023/09/11 14:15 werner [Bug fixes in NEVPT2] 2023/09/11 14:08 werner [σ-functionals and RPA calculations with RIRPA code] 2023/08/21 09:32 rmata [Nuclear-electronic orbital (NEO) methods] 2023/08/21 09:32 rmata [Nuclear-electronic orbital (NEO) methods] 2023/08/21 09:31 rmata [Nuclear-electronic orbital (NEO) methods] 2023/08/21 09:30 rmata [Nuclear-electronic orbital (NEO) methods] 2023/08/21 09:29 rmata 2023/08/21 09:28 rmata Addition of NEO methods2023/08/13 20:36 chemieegortrushi [Unrestricted coupled cluster] 2023/08/13 20:35 chemieegortrushi σ-functionals (RIRPA program) in recent changes2023/08/06 15:18 may typo2023/07/31 15:45 hesselmann [DFT Grids] 2023/07/31 15:14 hesselmann [Treatment of core correlation in PNO methods] 2023/07/31 10:53 werner [Binaries for calculations on multiple nodes] 2023/07/31 10:53 werner [Binaries for calculations on multiple nodes] 2023/07/31 10:52 werner [Binaries for calculations on multiple nodes] 2023/07/31 10:43 werner [Geometry optimization] 2023/07/31 10:42 werner [Binaries for calculations on multiple nodes] 2023/07/31 10:41 werner [Binaries for calculations on multiple nodes] 2023/07/31 10:40 werner [Binaries for calculations on multiple nodes] 2023/07/31 10:37 werner [New features of MOLPRO2023.1] 2023/07/31 10:34 werner [Treatment of core correlation in PNO methods] 2023/07/31 10:34 werner [Treatment of core correlation in PNO methods] 2023/07/31 10:34 werner [Treatment of core correlation in PNO methods] 2023/07/31 10:31 werner [Geometry optimization] 2023/07/31 10:31 werner [Unrestricted coupled cluster] 2023/07/31 10:29 werner [Geometry optimization] Go—recent_changes [2022/04/29 10:39] – [New features of MOLPRO2022.2] qianli