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='|')