def logo(): s = [None] * 6 s[0] = " _ _ " s[1] = " _ __ ___ __ _ _ __ | |_ ___ ___ | |" s[2] = "| '_ ` _ \ / _` | '_ \| __/ _ \ / _ \| |" s[3] = "| | | | | | (_| | |_) | || (_) | (_) | |" s[4] = "|_| |_| |_|\__,_| .__/ \__\___/ \___/|_|" s[5] = " |_| " for i in range(len(s)): box_center(ch=s[i])
def tail(): """show the citation info function description: Args: None Returns: None """ box_center(ch='-', fill='-', sp="+") box_center(ch='*BYEBYE*') box_center(ch="Thanks for using " + NAME) box_center(ch="Have a nice day!!!") #box_center(ch="Please cite: Nanoscale 9 (2), 850-855") #box_center(ch="https://scholar.google.com/citations?hl=zh-CN&user=9PPScBEAAAAJ") box_center(ch='-', fill='-', sp="+")
def head(): """show the logo and verion info function description: Args: None Returns: None """ box_center(ch='-', fill='-', sp="+") logo() box_center(ch='') box_center(__version__) box_center(ch='') box_center(ch='Written by Wang haidi') box_center(ch='URL https://github.com/haidi-ustc') box_center(ch='Bug reports:([email protected])') box_center(ch='-', fill='-', sp="+")
"real_optlay": ["REAL_OPTLAY: internal error", "REAL_OPT: internal ERROR"], "rspher": ["ERROR RSPHER"], "dentet": ["DENTET"], "too_few_bands": ["TOO FEW BANDS"], "triple_product": ["ERROR: the triple product of the basis vectors"], "rot_matrix": ["Found some non-integer element in rotation matrix"], "brions": ["BRIONS problems: POTIM should be increased"], "pricel": ["internal error in subroutine PRICEL"], "zpotrf": ["LAPACK: Routine ZPOTRF failed"], "amin": ["One of the lattice vectors is very long (>50 A), but AMIN"], "zbrent": ["ZBRENT: fatal internal in", "ZBRENT: fatal error in bracketing"], "pssyevx": ["ERROR in subspace rotation PSSYEVX"], "eddrmm": ["WARNING in EDDRMM: call to ZHEGV failed"], "edddav": ["Error EDDDAV: Call to ZHEGV failed"], "grad_not_orth": ["EDWAV: internal error, the gradient is not orthogonal"], "nicht_konv": ["ERROR: SBESSELITER : nicht konvergent"], "zheev": ["ERROR EDDIAG: Call to routine ZHEEV failed!"], "elf_kpar": ["ELF: KPAR>1 not implemented"], "elf_ncl": ["WARNING: ELF not implemented for non collinear case"], "rhosyg": ["RHOSYG internal error"], "posmap": ["POSMAP internal error: symmetry equivalent atom not found"], "point_group": ["Error: point group operation missing"], } box_center(ch='_',fill='_',sp=' ') box_center(ch="Vasp Errors",fill=' ',sp='|') box_center(ch="",fill=' ',sp='|') for k in error_msgs.keys(): box_center(ch=k,fill='-',sp="|") print('\n'.join(error_msgs[k])) box_center(ch='_',fill='_',sp='|')