User contributions for Ftran

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..."

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

8 February 2024

7 February 2024