sponge.colvar

API Name	Description	Supported Platforms
sponge.colvar.AllAtoms	All atoms of the simulation system.	Ascend GPU
sponge.colvar.AtomsBase	Base class for specific atoms group, used as the "atoms group module" in MindSPONGE.	Ascend GPU
sponge.colvar.Atoms	Specific atoms group initialized using an array of atomic indices.	Ascend GPU
sponge.colvar.BatchedAtoms	A batched version of Atoms Cell.	Ascend GPU
sponge.colvar.Center	Center of specific atoms	Ascend GPU
sponge.colvar.Group	Group of atoms.	Ascend GPU
sponge.colvar.Position	Virtual atom(s) in fixed position(s).	Ascend GPU
sponge.colvar.BatchedPosition	Virtual atom(s) in fixed position(s) with batched coordinate	Ascend GPU
sponge.colvar.Vector	Vector between specific atoms or virtual atoms.	Ascend GPU
sponge.colvar.Angle	Colvar for angle.	Ascend GPU
sponge.colvar.ConstantValue	Constant value.	Ascend GPU CPU
sponge.colvar.Distance	Colvar for distance.	Ascend GPU
sponge.colvar.Torsion	Colvar for torsional (dihedral) angle.	Ascend GPU
sponge.colvar.Volume	Volume of simulation system.	Ascend GPU
sponge.colvar.CombineCV	Polynomial combination of a set of Colvar $s_i$ with shape (S_1, S_2, ..., S_n).	Ascend GPU
sponge.colvar.ColvarCombine	See CombineCV.	Ascend GPU
sponge.colvar.CosCV	Cosine of collective variables (CVs) $s(R)$.	Ascend GPU
sponge.colvar.FunctionCV	A composite Colvar that combines a set of collective variables (CVs) $s_i(R)$ using a custom function $f(s_1(R),s_2(R),...,s_i(R))$.	Ascend GPU
sponge.colvar.SinCV	Sine of collective variables (CVs) $s(R)$.	Ascend GPU
sponge.colvar.TransformCV	Transformation of the values of the a collective variable $s(R)$ using a specific functions $f(x)$.	Ascend GPU
sponge.colvar.Colvar	Base class for generalized collective variables (CVs) $s(R)$.	Ascend GPU
sponge.colvar.ColvarGroup	Concatenate a group of Colvar classes into one Colvar class	Ascend GPU
sponge.colvar.get_colvar	get group of collective variables.	To Be Developed
sponge.colvar.get_atoms	get atom(s) or group.	To Be Developed