Template:MDCOMBINATIONS: Difference between revisions

Revision as of 08:42, 27 June 2019

	Thermostat
Ensemble	Andersen	Nose-Hoover	Langevin	Multiple Andersen
NVE	MDALGO=1, ANDERSEN_PROB=0.0
NVT	MDALGO=1	MDALGO=2	MDALGO=3	MDALGO=13
NVT	ISIF=2	ISIF=2	ISIF=2	ISIF=2
NpT	not available	not available	MDALGO=3	not available
NpT	not available	not available	ISIF=3	not available

@@ Line 6: / Line 6: @@
 | style="text-align: center;"|[[NVE ensemble|NVE]]          || colspan="4" style="text-align: center;"| {{TAG|MDALGO}}=1,  {{TAG|ANDERSEN_PROB}}=0.0
 |-
-| rowspan="2" style="text-align: center;"|[[NVT ensemble|NVT]]           ||{{TAG|MDALGO}}=1 ||{{TAG|MDALGO}}=2  || {{TAG|MDALGO}}=3 || {{TAG|MDALGO}}=13
+| rowspan="2" style="text-align: center;"|[[NVT ensemble|NVT]]           ||style="text-align: center;"|{{TAG|MDALGO}}=1 ||style="text-align: center;"|{{TAG|MDALGO}}=2  ||style="text-align: center;"| {{TAG|MDALGO}}=3 || style="text-align: center;"|{{TAG|MDALGO}}=13
 |-
-|                             {{TAG|ISIF}}=2   ||{{TAG|ISIF}}=2    ||{{TAG|ISIF}}=2    || {{TAG|ISIF}}=2
+|                             style="text-align: center;"|{{TAG|ISIF}}=2   ||style="text-align: center;"|{{TAG|ISIF}}=2    ||style="text-align: center;"|{{TAG|ISIF}}=2    || style="text-align: center;"|{{TAG|ISIF}}=2
 |-
-| rowspan="2" style="text-align: center;"|[[NpT ensemble|NpT]]          || rowspan="2" |not available   || rowspan="2"|not available    || {{TAG|MDALGO}}=3 || rowspan="2" |not available
+| rowspan="2" style="text-align: center;"|[[NpT ensemble|NpT]]          || rowspan="2" style="text-align: center;"|not available   || rowspan="2" style="text-align: center;"|not available    ||  style="text-align: center;"|{{TAG|MDALGO}}=3 || rowspan="2" style="text-align: center;"|not available
 |-
-|                                        {{TAG|ISIF}}=3
+|                                       style="text-align: center;"| {{TAG|ISIF}}=3
 |}