fixed bugs in NPTf, found (nearly) conserved quantities for both NPTi and NPTf
*** empty log message ***
*** empty log message ***
fixed NPTi to now work with constraints.
fixed ecr grow in SimInfo fixed conserved quantity in NPT (Still some small bug) NPTi appears very stable.
add conserved quantity to statWriter fix bug of vector wrapping at NPTi
added resetTime to the Global namespace. added ability to reset the integrators in the NVT and NPT family.
Added Z constraint.
*** empty log message ***
Fixes for the NPT ensembles
fixed some bugs, Changed entry_plug to info where appropriate
Fixing pressure tensor
Fixes for get and set routines in Atom and DirectionalAtom
Bug fixing NPTi and NPTf. there is some error in the caclulation of HmatInverse.
Fixes for both NPTf and NPTi
Fixes in NPTi migrated into NPTf
fixed box scaling
NPTi
This form allows you to request diffs between any two revisions of this file. For each of the two "sides" of the diff, enter a numeric revision.