Version updates:
Updated in Ver.1.6: Model: Add four modelling apps including SQS builder, enumeration, stochistics, evolutionary. Simulation: Add the implementations for thermodynamic calculation via Miedema Calculator, and for three CP2K modules, e.g. Structure Optimization, Single Point, Molecular Dynamics. Support the Inputs widget for application dialog by combining the input and selection. Improve the layout of VASP and LAMMPS interface, and provide the access to remote server for the choice of the working folder. Provide the auto choice in setting for the magnetism calculation (see Userseries). Add high-throughput implementations for Simulation module, e.g. AHULL. In inspect particle and fence particle mode, it is allowed to drag the selected atoms with the right mouse button, change the perspective with the left mouse button while holding down the Shift key, and drag the perspective with the right mouse button while holding down the Shift key.
Updated in Ver.1.5: Simulation: Overhaul simulation UI for VASP. Add several implementations for VASP/Basiseries module, e.g. Structure Optimization, Single Point, Molecular Dynamics, Basic Band Structure, Fat Band Structure, 3d Band Structure, Density of States, Fermi Surface, Valence Charge Density, Partial Charge Density, Electron Local Function, Local Potential, Wave Function in real space. Add port to select default server for simulation module. Add auto download routine and preview routine for simulation result. Analysis: Add the on-site visualization for AADIS module: DVA, STA, SVA, IDA, NYE and NTA. Improve analysis speed and memory usage for wave function in real space module in VASPA. Add new tools for visualization: Plot Curves of Line+Symbol, Scatter+Colormap, Bubble+Colormap, Vector+Colormap. Enable adding lines to plot curves from data file in CSV format.
Updated in Ver.1.4: Simulation: Add several high-throughput implementations for Simulation module, e.g. ABADE, ACOHP. Analysis: Add new module for VASP data analyzer: fat band structure, 3D band structure and fermi surface. Add new module for VASP volumetric data analyzer: Wave function in real space. Visualization: Add new module for atomic visualization mode: polyhedral, plane, vector. Overhaul bond definition, enable complex cutoff between atoms. Overhaul colorbar selection, enable custom definition of colorbar. Add new module for Brillouin zone visualization, K-path definition, and fermi surface visualization. Add new module: colorfill surface for 3D data visualization.
Updated in Ver.1.3: Add several high-throughput implementations for Simulation module, e.g. AELAS, ADAIS, ASURF, AEDOS, ABAND, APHON; Add the analysis modules for VASP results, e.g. VASPDV for density of state (DOS) and band structure, VASPVV for charge density difference (CDD) and electron localization function (ELF); fix the bugs for modelling, Simulation and visualization modules.
Updated in Ver.1.2: Add Surfkit for Modelling module; Add support for GUI to VASP for automatically including more functionals by other developer or users; fix the bugs for Simulation and visualization module.
Updated in Ver.1.1: Add Cryskit for Modelling module; fix the bugs for Simulation module, support submit task to current terminal.
Free access to software:
1. Go official website: https://micid.top, or send registry to zrfcms@buaa.edu.cn to get Baidu online disk link.
2. Or download it directly from github. The link is as follows: https://github.com/zrfcms/SPaMD
Deposit link:
https://drive.google.com/file/d/1o7m2IErdkOLATcpe5K9oAA8qGZCROL6S/view?usp=sharing