User contributions for Ftran
1 April 2024
- 08:5908:59, 1 April 2024 diff hist +10 Makefile.include No edit summary current
25 March 2024
- 13:4913:49, 25 March 2024 diff hist 0 METAGGA No edit summary
- 13:4813:48, 25 March 2024 diff hist +50 METAGGA No edit summary
- 13:3913:39, 25 March 2024 diff hist +1 METAGGA No edit summary
- 13:3713:37, 25 March 2024 diff hist +154 METAGGA No edit summary
24 March 2024
- 14:5914:59, 24 March 2024 diff hist −54 Template:Cite No edit summary current
19 March 2024
- 14:0114:01, 19 March 2024 diff hist 0 LIBMBD METHOD No edit summary current
- 14:0114:01, 19 March 2024 diff hist 0 Nonlocal vdW-DF functionals No edit summary current
- 14:0014:00, 19 March 2024 diff hist 0 LIBMBD XC No edit summary current
- 14:0014:00, 19 March 2024 diff hist 0 LIBMBD R0AU No edit summary current
- 14:0014:00, 19 March 2024 diff hist 0 LIBMBD TS SR No edit summary current
- 13:5913:59, 19 March 2024 diff hist 0 LIBMBD C6AU No edit summary current
- 13:5913:59, 19 March 2024 diff hist 0 LIBMBD K GRID No edit summary current
- 13:5913:59, 19 March 2024 diff hist 0 LIBMBD TS D No edit summary current
- 13:5913:59, 19 March 2024 diff hist 0 LIBMBD ALPHA No edit summary current
- 13:5813:58, 19 March 2024 diff hist 0 LIBMBD MBD BETA No edit summary current
- 13:5813:58, 19 March 2024 diff hist 0 LIBMBD PARALLEL MODE No edit summary current
- 13:5813:58, 19 March 2024 diff hist 0 LIBMBD MBD A No edit summary current
- 13:5713:57, 19 March 2024 diff hist 0 LIBMBD K GRID SHIFT No edit summary current
- 13:5713:57, 19 March 2024 diff hist 0 LIBMBD VDW PARAMS KIND No edit summary current
- 13:5713:57, 19 March 2024 diff hist 0 LIBMBD N OMEGA GRID No edit summary current
- 13:3413:34, 19 March 2024 diff hist 0 Precompiler options No edit summary current
14 March 2024
- 20:2720:27, 14 March 2024 diff hist +147 BPARAM No edit summary current
- 20:2020:20, 14 March 2024 diff hist −182 Template:Cite No edit summary
- 20:1720:17, 14 March 2024 diff hist +26 CPARAM No edit summary current
- 20:1320:13, 14 March 2024 diff hist +2 Nonlocal vdW-DF functionals No edit summary
- 20:0820:08, 14 March 2024 diff hist +1 Nonlocal vdW-DF functionals No edit summary
- 20:0720:07, 14 March 2024 diff hist −1 Nonlocal vdW-DF functionals No edit summary
- 20:0620:06, 14 March 2024 diff hist +276 Nonlocal vdW-DF functionals No edit summary
- 20:0620:06, 14 March 2024 diff hist +169 Template:Cite No edit summary
6 March 2024
- 08:5008:50, 6 March 2024 diff hist +233 List of hybrid functionals No edit summary current
14 February 2024
- 17:2917:29, 14 February 2024 diff hist +107 AMGGAX No edit summary current
- 17:2717:27, 14 February 2024 diff hist +79 AMGGAX No edit summary
- 17:2517:25, 14 February 2024 diff hist +78 ALDAX No edit summary current
- 17:2517:25, 14 February 2024 diff hist +78 AGGAX No edit summary current
13 February 2024
- 15:2715:27, 13 February 2024 diff hist +14 Category:Exchange-correlation functionals No edit summary current
- 15:2715:27, 13 February 2024 diff hist +14 Category:Van der Waals functionals No edit summary current
11 February 2024
- 22:2022:20, 11 February 2024 diff hist +10 IVDW No edit summary current
- 22:1922:19, 11 February 2024 diff hist +9 IVDW No edit summary
- 22:1922:19, 11 February 2024 diff hist +8 IVDW No edit summary
9 February 2024
- 19:0019:00, 9 February 2024 diff hist 0 LIBMBD METHOD No edit summary
- 18:5818:58, 9 February 2024 diff hist +213 LIBMBD METHOD No edit summary
- 15:3315:33, 9 February 2024 diff hist +305 Template:Cite No edit summary
- 15:2515:25, 9 February 2024 diff hist +121 LIBMBD METHOD No edit summary
- 15:2315:23, 9 February 2024 diff hist −35 LVDW EWALD No edit summary current
- 15:2015:20, 9 February 2024 diff hist +154 LVDW EWALD No edit summary
- 13:1113:11, 9 February 2024 diff hist +113 VDW CNRADIUS No edit summary current
- 11:3211:32, 9 February 2024 diff hist +15 VDW S8 No edit summary current
- 11:2911:29, 9 February 2024 diff hist −4 VDW A2 No edit summary current
- 11:2811:28, 9 February 2024 diff hist +22 VDW A2 No edit summary
- 11:2811:28, 9 February 2024 diff hist +1 VDW A2 No edit summary
- 11:2811:28, 9 February 2024 diff hist +1 VDW A1 No edit summary current
- 11:2711:27, 9 February 2024 diff hist +31 VDW A1 No edit summary
- 11:2311:23, 9 February 2024 diff hist +20 VDW A1 No edit summary
- 11:1711:17, 9 February 2024 diff hist +30 VDW A1 No edit summary
- 11:1511:15, 9 February 2024 diff hist +82 VDW A2 No edit summary
- 11:1411:14, 9 February 2024 diff hist +75 VDW A1 No edit summary
- 11:1411:14, 9 February 2024 diff hist +90 VDW S8 No edit summary
- 11:0511:05, 9 February 2024 diff hist +8 VDW S6 No edit summary current
- 10:3810:38, 9 February 2024 diff hist +41 XC C No edit summary
- 10:3810:38, 9 February 2024 diff hist +52 XC No edit summary
- 10:2910:29, 9 February 2024 diff hist +6 PARAM1 No edit summary
- 10:2810:28, 9 February 2024 diff hist +22 PARAM1 No edit summary
- 10:1810:18, 9 February 2024 diff hist +32 ALPHA VDW No edit summary
- 10:1710:17, 9 February 2024 diff hist +32 GAMMA VDW No edit summary
- 10:1410:14, 9 February 2024 diff hist 0 Nonlocal vdW-DF functionals No edit summary
- 10:0410:04, 9 February 2024 diff hist +1 VDW C6AU No edit summary current
- 10:0410:04, 9 February 2024 diff hist −1 VDW ALPHA No edit summary current
- 10:0310:03, 9 February 2024 diff hist +27 VDW R0AU No edit summary current
- 09:5909:59, 9 February 2024 diff hist +1 VDW D No edit summary current
- 09:5909:59, 9 February 2024 diff hist +1 VDW C6 No edit summary current
- 09:5809:58, 9 February 2024 diff hist +1 VDW ALPHA No edit summary
- 09:5809:58, 9 February 2024 diff hist +1 VDW ALPHA No edit summary
- 09:5809:58, 9 February 2024 diff hist +1 VDW RADIUS No edit summary current
- 09:5809:58, 9 February 2024 diff hist +1 VDW S6 No edit summary
- 09:5809:58, 9 February 2024 diff hist +1 VDW SR No edit summary current
- 09:5709:57, 9 February 2024 diff hist +1 VDW R0AU No edit summary
- 09:5709:57, 9 February 2024 diff hist +1 VDW R0 No edit summary current
- 09:5709:57, 9 February 2024 diff hist +256 VDW R0AU No edit summary
- 09:5709:57, 9 February 2024 diff hist +18 VDW R0 No edit summary
- 09:5309:53, 9 February 2024 diff hist +308 VDW C6AU No edit summary
- 09:5309:53, 9 February 2024 diff hist +18 VDW C6 No edit summary
- 09:4309:43, 9 February 2024 diff hist −4 VDW ALPHA No edit summary
- 09:4309:43, 9 February 2024 diff hist −4 VDW C6 No edit summary
- 09:4209:42, 9 February 2024 diff hist −4 VDW R0 No edit summary
- 09:4209:42, 9 February 2024 diff hist +375 VDW D No edit summary
- 09:2909:29, 9 February 2024 diff hist +296 VDW R0 No edit summary
- 09:2509:25, 9 February 2024 diff hist +295 VDW C6 No edit summary
- 09:1709:17, 9 February 2024 diff hist +269 VDW ALPHA No edit summary
- 09:1509:15, 9 February 2024 diff hist −82 VDW SR No edit summary
- 09:1509:15, 9 February 2024 diff hist −81 VDW S6 No edit summary
- 09:1109:11, 9 February 2024 diff hist +29 VDW SR No edit summary
- 09:1009:10, 9 February 2024 diff hist −8 VDW S6 No edit summary
- 09:1009:10, 9 February 2024 diff hist −8 VDW RADIUS No edit summary
- 09:0909:09, 9 February 2024 diff hist +1 VDW SR No edit summary
- 09:0809:08, 9 February 2024 diff hist +1 VDW SR No edit summary
- 09:0709:07, 9 February 2024 diff hist +198 VDW SR No edit summary
- 08:5908:59, 9 February 2024 diff hist +80 VDW S6 No edit summary
- 08:5708:57, 9 February 2024 diff hist −1 VDW S6 No edit summary
- 08:5608:56, 9 February 2024 diff hist +28 VDW S6 No edit summary
- 08:5608:56, 9 February 2024 diff hist +162 VDW S6 No edit summary
- 08:5008:50, 9 February 2024 diff hist −23 VDW RADIUS No edit summary
- 08:4408:44, 9 February 2024 diff hist +118 VDW RADIUS No edit summary
- 08:0108:01, 9 February 2024 diff hist −1 Category:Van der Waals functionals No edit summary
8 February 2024
- 16:5116:51, 8 February 2024 diff hist +30 LIBMBD METHOD No edit summary
- 16:4916:49, 8 February 2024 diff hist −2 LIBMBD METHOD No edit summary
- 16:1216:12, 8 February 2024 diff hist +113 LIBMBD PARALLEL MODE No edit summary
- 16:0016:00, 8 February 2024 diff hist −28 LIBMBD PARALLEL MODE No edit summary
- 16:0016:00, 8 February 2024 diff hist −28 LIBMBD PARALLEL MODE No edit summary
- 15:5515:55, 8 February 2024 diff hist +20 LIBMBD VDW PARAMS KIND No edit summary
- 15:5515:55, 8 February 2024 diff hist +20 LIBMBD PARALLEL MODE No edit summary
- 15:5415:54, 8 February 2024 diff hist −1 LIBMBD PARALLEL MODE No edit summary
- 15:5415:54, 8 February 2024 diff hist +1,388 N LIBMBD PARALLEL MODE Created page with "{{DISPLAYTITLE:LIBMBD_PARALLEL_MODE}} {{TAGDEF|LIBMBD_PARALLEL_MODE|auto {{!}} kpoints {{!}} atoms}} Default: {{TAG|LIBMBD_PARALLEL_MODE}}=auto Description: {{TAG|LIBMBD_PARALLEL_MODE}} selects the parallelization scheme used for the methods implemented in the library libMBD of many-body dispersion methods{{cite|libmbd_1}}{{cite|libmbd_2}}{{cite|hermann:jcp:2023}}. ---- {{TAG|LIBMBD_PARALLEL_MODE}} allows to choose the parallelization scheme used for the methods implem..."
- 15:1015:10, 8 February 2024 diff hist −1 LIBMBD R0AU No edit summary
- 15:0915:09, 8 February 2024 diff hist −112 LIBMBD R0AU No edit summary
- 15:0815:08, 8 February 2024 diff hist −2 LIBMBD ALPHA No edit summary
- 15:0815:08, 8 February 2024 diff hist −2 LIBMBD C6AU No edit summary
- 15:0815:08, 8 February 2024 diff hist +1,854 N LIBMBD R0AU Created page with "{{DISPLAYTITLE:LIBMBD_R0AU}} {{TAGDEF|LIBMBD_R0AU|[real array]}} Description: {{TAG|LIBMBD_R0AU}} defines the free-atom <math>C_6</math> parameters (<math>\mathrm{Hartree}</math> <math>\mathrm{bohr}^{6}</math>) used in the Tkatchenko-Scheffler and Many-body dispersion energy methods as implemented in the library libMBD of many-body dispersion methods{{cite|libmbd_1}}{{cite|libmbd_2}}{{cite|hermann:jcp:2023}}. ---- {{TAG|LIBMBD_R0AU}}..."
- 15:0315:03, 8 February 2024 diff hist +1 LIBMBD ALPHA No edit summary
- 15:0315:03, 8 February 2024 diff hist +1 LIBMBD C6AU No edit summary
- 15:0215:02, 8 February 2024 diff hist +1 LIBMBD C6AU No edit summary
- 15:0115:01, 8 February 2024 diff hist +1 LIBMBD ALPHA No edit summary
- 15:0115:01, 8 February 2024 diff hist +22 LIBMBD C6AU No edit summary
- 15:0015:00, 8 February 2024 diff hist +22 LIBMBD ALPHA No edit summary
- 14:5314:53, 8 February 2024 diff hist +1,832 N LIBMBD C6AU Created page with "{{DISPLAYTITLE:LIBMBD_C6AU}} {{TAGDEF|LIBMBD_C6AU|[real array]}} Description: {{TAG|LIBMBD_C6AU}} defines the free-atom <math>C_6</math> parameters (<math>\mathrm{Hartree}</math> <math>\mathrm{bohr}^{6}</math>) within the Tkatchenko-Scheffler and many-body methods as implemented in the library libMBD of many-body dispersion methods{{cite|libmbd_1}}{{cite|libmbd_2}}{{cite|hermann:jcp:2023}}. ---- {{TAG|LIBMBD_C6AU}} allows to set values fo..."
- 14:5214:52, 8 February 2024 diff hist +4 LIBMBD ALPHA No edit summary
- 14:4714:47, 8 February 2024 diff hist −6 LIBMBD ALPHA No edit summary
- 14:4614:46, 8 February 2024 diff hist +136 LIBMBD ALPHA No edit summary
- 14:4414:44, 8 February 2024 diff hist +1 LIBMBD ALPHA No edit summary
- 14:4314:43, 8 February 2024 diff hist −2 LIBMBD ALPHA No edit summary
- 14:4214:42, 8 February 2024 diff hist −7 LIBMBD ALPHA No edit summary
- 14:3914:39, 8 February 2024 diff hist +44 LIBMBD ALPHA No edit summary
- 13:3013:30, 8 February 2024 diff hist −1 LIBMBD ALPHA No edit summary
- 13:2213:22, 8 February 2024 diff hist +1 LIBMBD ALPHA No edit summary
- 12:5612:56, 8 February 2024 diff hist −6 LIBMBD ALPHA No edit summary
- 12:5512:55, 8 February 2024 diff hist +143 LIBMBD ALPHA No edit summary
- 12:5112:51, 8 February 2024 diff hist +1,476 N LIBMBD ALPHA Created page with "{{DISPLAYTITLE:LIBMBD_ALPHA}} {{TAGDEF|LIBMBD_ALPHA|real (array)}} Description: {{TAG|LIBMBD_ALPHA}} sets the value of the damping parameter <math>a</math> in the many-body methods as implemented in the library libMBD of many-body dispersion methods{{cite|libmbd_1}}{{cite|libmbd_2}}{{cite|hermann:jcp:2023}}. ---- {{TAG|LIBMBD_ALPHA}} allows to choose the value of the damping parameter <math>a</math> in the many-body methods as implemented in the library libMBD of many-b..."
- 12:3612:36, 8 February 2024 diff hist +5 LIBMBD VDW PARAMS KIND No edit summary
- 12:3512:35, 8 February 2024 diff hist −14 LIBMBD VDW PARAMS KIND No edit summary
- 11:3111:31, 8 February 2024 diff hist +8 LIBMBD VDW PARAMS KIND No edit summary
- 11:2511:25, 8 February 2024 diff hist −126 LTSSURF No edit summary current
- 11:2411:24, 8 February 2024 diff hist +26 LIBMBD VDW PARAMS KIND No edit summary
- 11:2311:23, 8 February 2024 diff hist +37 LIBMBD VDW PARAMS KIND No edit summary
- 11:2211:22, 8 February 2024 diff hist +335 Template:Cite No edit summary
- 11:2011:20, 8 February 2024 diff hist −3 Template:Cite No edit summary
- 11:1111:11, 8 February 2024 diff hist +61 LIBMBD VDW PARAMS KIND No edit summary
- 11:0811:08, 8 February 2024 diff hist −135 LIBMBD VDW PARAMS KIND No edit summary
- 11:0011:00, 8 February 2024 diff hist +54 LIBMBD VDW PARAMS KIND No edit summary
- 10:5810:58, 8 February 2024 diff hist −2 LIBMBD VDW PARAMS KIND No edit summary
- 10:5810:58, 8 February 2024 diff hist −9 LIBMBD VDW PARAMS KIND No edit summary
- 10:5810:58, 8 February 2024 diff hist −73 LIBMBD VDW PARAMS KIND No edit summary
- 10:5610:56, 8 February 2024 diff hist +30 LIBMBD VDW PARAMS KIND No edit summary
- 10:5410:54, 8 February 2024 diff hist +1,808 N LIBMBD VDW PARAMS KIND Created page with "{{DISPLAYTITLE:LIBMBD_TS_SR}} {{TAGDEF|LIBMBD_TS_SR|[real]|value that was determined for the exchange-correlation functional set with {{TAG|LIBMBD_XC}}}} Description: {{TAG|LIBMBD_TS_SR}} sets the value of the scaling factor <math>s_R</math> in the Tkatchenko-Scheffler method{{cite|tkatchenko:prl:09}} as implemented in the library libMBD of many-body dispersion methods{{cite|libmbd_1}}{{cite|libmbd_2}}{{cite|hermann:jcp:2023}}. ---- {{TAG|LIBMBD_TS_SR}} allows to choose..."
7 February 2024
- 16:5216:52, 7 February 2024 diff hist +23 LIBMBD K GRID SHIFT No edit summary
- 16:5116:51, 7 February 2024 diff hist +29 LIBMBD K GRID No edit summary
- 16:5016:50, 7 February 2024 diff hist +19 LIBMBD TS D No edit summary
- 16:5016:50, 7 February 2024 diff hist −3 LIBMBD MBD A No edit summary
- 16:5016:50, 7 February 2024 diff hist 0 LIBMBD MBD A No edit summary
- 16:4816:48, 7 February 2024 diff hist +22 LIBMBD MBD A No edit summary
- 16:4616:46, 7 February 2024 diff hist +19 LIBMBD MBD BETA No edit summary
- 16:4216:42, 7 February 2024 diff hist +7 LIBMBD MBD BETA No edit summary
- 16:4116:41, 7 February 2024 diff hist +35 LIBMBD MBD BETA No edit summary
- 16:3916:39, 7 February 2024 diff hist +1,733 N LIBMBD MBD BETA Created page with "{{DISPLAYTITLE:LIBMBD_MBD_BETA}} {{TAGDEF|LIBMBD_MBD_BETA|[real]|value that was determined for the exchange-correlation functional set with {{TAG|LIBMBD_XC}}}} Description: {{TAG|LIBMBD_MBD_BETA}} sets the value of the scaling factor <math>\beta</math> in the many-body methods as implemented in the library libMBD of many-body dispersion methods{{cite|libmbd_1}}{{cite|libmbd_2}}{{cite|hermann:jcp:2023}}. ---- {{TAG|LIBMBD_MBD_BETA}} allows to choose the value of the damp..."
- 16:3916:39, 7 February 2024 diff hist +1 LIBMBD TS D No edit summary
- 16:3316:33, 7 February 2024 diff hist −14 LIBMBD MBD A No edit summary
- 16:3116:31, 7 February 2024 diff hist +80 LIBMBD TS D No edit summary
- 16:3016:30, 7 February 2024 diff hist +25 LIBMBD MBD A No edit summary
- 16:2916:29, 7 February 2024 diff hist 0 LIBMBD MBD A No edit summary
- 16:2816:28, 7 February 2024 diff hist +81 LIBMBD MBD A No edit summary
- 16:2716:27, 7 February 2024 diff hist −312 LIBMBD MBD A No edit summary
- 16:2416:24, 7 February 2024 diff hist +61 VDW SR No edit summary
- 16:2316:23, 7 February 2024 diff hist +61 VDW SR No edit summary
- 16:1516:15, 7 February 2024 diff hist +1,719 N LIBMBD MBD A Created page with "{{DISPLAYTITLE:LIBMBD_MBD_A}} {{TAGDEF|LIBMBD_MBD_A|[real]|6.0}} Description: {{TAG|LIBMBD_MBD_A}} sets the value of the scaling factor <math>s_R</math> in the Tkatchenko-Scheffler method{{cite|tkatchenko:prl:09}} as implemented in the library libMBD of many-body dispersion methods{{cite|libmbd_1}}{{cite|libmbd_2}}{{cite|hermann:jcp:2023}}. ---- {{TAG|LIBMBD_MBD_A}} allows to choose the value of the scaling factor <math>s_R</math> in the Tkatchenko-Scheffler method{{cit..."
- 16:0716:07, 7 February 2024 diff hist −8 LIBMBD XC No edit summary
- 16:0516:05, 7 February 2024 diff hist −85 LIBMBD XC No edit summary
- 16:0116:01, 7 February 2024 diff hist +22 LIBMBD TS D No edit summary
- 16:0016:00, 7 February 2024 diff hist +1 LIBMBD TS SR No edit summary
- 16:0016:00, 7 February 2024 diff hist +39 LIBMBD TS SR No edit summary
- 15:5715:57, 7 February 2024 diff hist 0 LIBMBD TS SR No edit summary
- 15:5615:56, 7 February 2024 diff hist +1 LIBMBD TS SR No edit summary
- 15:5615:56, 7 February 2024 diff hist −1 LIBMBD TS SR No edit summary
- 15:5615:56, 7 February 2024 diff hist +171 LIBMBD TS SR No edit summary
- 15:5015:50, 7 February 2024 diff hist +1,597 N LIBMBD TS SR Created page with "{{DISPLAYTITLE:LIBMBD_TS_SR}} {{TAGDEF|LIBMBD_TS_SR|[real]|20}} Description: {{TAG|LIBMBD_TS_SR}} sets the value of the damping parameter <math>d</math> in the Tkatchenko-Scheffler method{{cite|tkatchenko:prl:09}} as implemented in the library libMBD of many-body dispersion methods{{cite|libmbd_1}}{{cite|libmbd_2}}{{cite|hermann:jcp:2023}}. ---- {{TAG|LIBMBD_TS_SR}} allows to choose the value of the damping parameter <math>d</math> in the Tkatchenko-Scheffler method{{ci..."
- 15:4815:48, 7 February 2024 diff hist −3 LIBMBD TS D No edit summary
- 15:4815:48, 7 February 2024 diff hist +6 LIBMBD TS D No edit summary
- 15:4615:46, 7 February 2024 diff hist +1 LIBMBD TS D No edit summary
- 15:4615:46, 7 February 2024 diff hist +60 LIBMBD TS D No edit summary
- 15:4415:44, 7 February 2024 diff hist +164 LTSSURF No edit summary
- 15:4115:41, 7 February 2024 diff hist +7 VDW RADIUS No edit summary
- 15:4115:41, 7 February 2024 diff hist +7 VDW S6 No edit summary
- 15:4115:41, 7 February 2024 diff hist +7 VDW SR No edit summary
- 15:4015:40, 7 February 2024 diff hist +7 VDW D No edit summary
- 15:4015:40, 7 February 2024 diff hist +7 VDW ALPHA No edit summary
- 15:4015:40, 7 February 2024 diff hist +20 VDW ALPHA No edit summary
- 15:4015:40, 7 February 2024 diff hist +24 VDW C6AU No edit summary
- 15:3915:39, 7 February 2024 diff hist +7 VDW C6 No edit summary
- 15:3915:39, 7 February 2024 diff hist +24 VDW R0AU No edit summary
- 15:3915:39, 7 February 2024 diff hist +25 VDW R0 No edit summary
- 15:3715:37, 7 February 2024 diff hist +18 VDW C6 No edit summary
- 15:3615:36, 7 February 2024 diff hist +54 VDW SR No edit summary
- 15:3615:36, 7 February 2024 diff hist +54 VDW S6 No edit summary
- 15:3615:36, 7 February 2024 diff hist +54 VDW RADIUS No edit summary
- 15:3515:35, 7 February 2024 diff hist +1 VDW D No edit summary
- 15:3515:35, 7 February 2024 diff hist +53 VDW D No edit summary
- 15:3515:35, 7 February 2024 diff hist +321 LIBMBD METHOD No edit summary
- 15:3115:31, 7 February 2024 diff hist +55 LIBMBD XC No edit summary
- 15:3115:31, 7 February 2024 diff hist +55 LIBMBD N OMEGA GRID No edit summary
- 15:3015:30, 7 February 2024 diff hist +55 LIBMBD K GRID SHIFT No edit summary
- 15:3015:30, 7 February 2024 diff hist +55 LIBMBD K GRID No edit summary
- 15:3015:30, 7 February 2024 diff hist +55 LIBMBD TS D No edit summary
- 15:2715:27, 7 February 2024 diff hist +47 LIBMBD TS D No edit summary
- 15:1015:10, 7 February 2024 diff hist +54 VDW SR No edit summary
- 15:1015:10, 7 February 2024 diff hist +56 VDW S6 No edit summary
- 15:0915:09, 7 February 2024 diff hist +54 VDW RADIUS No edit summary
- 15:0815:08, 7 February 2024 diff hist −1 VDW D No edit summary
- 15:0715:07, 7 February 2024 diff hist +16 VDW D No edit summary
- 15:0615:06, 7 February 2024 diff hist +41 VDW D No edit summary
- 15:0515:05, 7 February 2024 diff hist +83 LIBMBD TS D No edit summary
- 15:0215:02, 7 February 2024 diff hist −4 LIBMBD TS D No edit summary
- 15:0215:02, 7 February 2024 diff hist +196 LIBMBD TS D No edit summary
- 14:5914:59, 7 February 2024 diff hist −110 LIBMBD TS D No edit summary
- 14:5314:53, 7 February 2024 diff hist +17 LIBMBD TS D No edit summary
- 14:4914:49, 7 February 2024 diff hist −8 LIBMBD TS D No edit summary
- 14:4814:48, 7 February 2024 diff hist +1,251 N LIBMBD TS D Created page with "{{DISPLAYTITLE:LIBMBD_TS_D}} {{TAGDEF|LIBMBD_TS_D|[real]|default set by the exchange-correlation functional chosen with {{TAG|LIBMBD_XC}}}} Description: {{TAG|LIBMBD_TS_D}} sets the number of points on the grid of imaginary frequencies used in the library libMBD of many-body dispersion methods{{cite|libmbd_1}}{{cite|libmbd_2}}{{cite|hermann:jcp:2023}}. ---- {{TAG|LIBMBD_N_OMEGA_GRID}} allows to choose the number of points on the grid of imaginary frequencies used in the..."
- 14:4514:45, 7 February 2024 diff hist −21 LIBMBD XC No edit summary
- 14:4014:40, 7 February 2024 diff hist −1 LIBMBD XC No edit summary
- 14:3814:38, 7 February 2024 diff hist +5 LIBMBD XC No edit summary
- 14:3614:36, 7 February 2024 diff hist +4 LIBMBD XC No edit summary
- 14:3514:35, 7 February 2024 diff hist +424 LIBMBD XC No edit summary
- 14:1514:15, 7 February 2024 diff hist +42 LIBMBD XC No edit summary
- 14:1514:15, 7 February 2024 diff hist +42 LIBMBD XC No edit summary
- 14:1014:10, 7 February 2024 diff hist −65 LIBMBD XC No edit summary
- 13:5913:59, 7 February 2024 diff hist +27 LIBMBD XC No edit summary
- 13:5813:58, 7 February 2024 diff hist +46 LIBMBD XC No edit summary
- 13:4413:44, 7 February 2024 diff hist −37 LIBMBD XC No edit summary
- 13:3913:39, 7 February 2024 diff hist +1,348 N LIBMBD XC Created page with "{{DISPLAYTITLE:LIBMBD_XC}} {{TAGDEF|LIBMBD_XC|[array of three integers]|determined in libMBD according to the cell shape}} Description: {{TAG|LIBMBD_XC}} sets the k-mesh of the collective oscillations defined in the methods available in the library libMBD of many-body dispersion methods{{cite|libmbd_1}}{{cite|libmbd_2}}{{cite|hermann:jcp:2023}}. ---- {{TAG|LIBMBD_XC}} allows to choose the k-mesh of the collective oscillations defined in the methods available in the libr..."
- 13:3713:37, 7 February 2024 diff hist +12 LIBMBD K GRID No edit summary
- 13:3413:34, 7 February 2024 diff hist +78 LIBMBD K GRID No edit summary
- 13:3013:30, 7 February 2024 diff hist +2 LIBMBD K GRID SHIFT No edit summary
- 13:2913:29, 7 February 2024 diff hist +2 LIBMBD N OMEGA GRID No edit summary
- 13:2713:27, 7 February 2024 diff hist −1 LIBMBD K GRID No edit summary
- 13:2713:27, 7 February 2024 diff hist +35 LIBMBD K GRID No edit summary
- 13:2513:25, 7 February 2024 diff hist +1,244 N LIBMBD K GRID Created page with "{{DISPLAYTITLE:LIBMBD_K_GRID}} {{TAGDEF|LIBMBD_K_GRID|[real]|0.5 (default in libMBD)}} Description: {{TAG|LIBMBD_K_GRID}} is the shift for the k-mesh of the collective oscillations defined in the methods available in the library libMBD of many-body dispersion methods{{cite|libmbd_1}}{{cite|libmbd_2}}{{cite|hermann:jcp:2023}}. ---- {{TAG|LIBMBD_K_GRID}} allows to choose a shift for the k-mesh of the collective oscillations defined in the methods available in the library..."
- 13:2113:21, 7 February 2024 diff hist +48 LIBMBD K GRID SHIFT No edit summary
- 13:2013:20, 7 February 2024 diff hist −14 LIBMBD METHOD No edit summary
- 13:0213:02, 7 February 2024 diff hist +1,226 N LIBMBD K GRID SHIFT Created page with "{{DISPLAYTITLE:LIBMBD_K_GRID_SHIFT}} {{TAGDEF|LIBMBD_K_GRID_SHIFT|[integer]|15 (default in libMBD)}} Description: {{TAG|LIBMBD_K_GRID_SHIFT}} is the number of points on the grid of imaginary frequencies used in the library libMBD of many-body dispersion methods{{cite|libmbd_1}}{{cite|libmbd_2}}{{cite|hermann:jcp:2023}}. ---- {{TAG|LIBMBD_N_OMEGA_GRID}} allows to choose the number of points on the grid of imaginary frequencies used in the library libMBD of many-body disp..."
- 12:5712:57, 7 February 2024 diff hist +14 LIBMBD N OMEGA GRID No edit summary
- 12:5612:56, 7 February 2024 diff hist +6 LIBMBD N OMEGA GRID No edit summary
- 12:5412:54, 7 February 2024 diff hist −24 LIBMBD N OMEGA GRID No edit summary
- 12:4912:49, 7 February 2024 diff hist −35 LIBMBD N OMEGA GRID No edit summary