Pinned Repositories
AutoFunctionalization
ContactAngleCalculator
A TCL code for the calculation of contact angle of droplet wetting on solid substrates
DensityCalculator
A TCL code for the calculation of mass/number density of a system.
HexagonRingCalculator
a Tcl code to calculate the bond length and ring area of graphene, boron nitride, and other structures with 6-atom-ring.
HydrogenBondCalculator
a Tcl code to calculate the 1D and 2D distributions of hydrogen bond density and strength
process-OUTCAR
This code can extract the positions or force from OUTCAR in VASP calculation for user-defined atom set
yuxiangwang321's Repositories
yuxiangwang321/DensityCalculator
A TCL code for the calculation of mass/number density of a system.
yuxiangwang321/HydrogenBondCalculator
a Tcl code to calculate the 1D and 2D distributions of hydrogen bond density and strength
yuxiangwang321/ContactAngleCalculator
A TCL code for the calculation of contact angle of droplet wetting on solid substrates
yuxiangwang321/AutoFunctionalization
yuxiangwang321/HexagonRingCalculator
a Tcl code to calculate the bond length and ring area of graphene, boron nitride, and other structures with 6-atom-ring.
yuxiangwang321/process-OUTCAR
This code can extract the positions or force from OUTCAR in VASP calculation for user-defined atom set