Lines Matching refs:ICENT
73 ICENT = 0
77 ICENT = ICENT + 1
78 NCENTER = NCENTER + NUCDEG(ICENT)
83 NPRIM = NPRIM + NUC(KBCH) * NUCDEG(ICENT) * KCK(J)
84 NAO = NAO + NRC(KBCH) * NUCDEG(ICENT) * KHK(J)
85 print *, I,ICENT,KBCH,NRC(KBCH),NUCDEG(ICENT),KHK(J),NAO
133 ICENT = 0
142 ICENT = ICENT + 1
143 NDEG = NUCDEG(ICENT)
241 ICENT = IPCEN(ISAO)
242 J = NUCDEG(ICENT)
245 & ISAO,NAMN(ICENT),GTOTYP(IPTYP(ISAO)),ITRAN(ISAO,1),
462 INTEGER IOS, ICENT, MCENT, LCENT, I, N local
483 DO ICENT = 1, NUCIND ! symmetry distinct atoms of type I
485 IF ( MULT(ISTBNU(ICENT)) .EQ. 1 ) THEN
488 & NAMN(ICENT),' (CENTRE',MCENT,') ',
489 & CORD(1,ICENT), CORD(2,ICENT), CORD(3,ICENT),
490 & ' CHARGE =', CHARGE(ICENT)
495 IF (IAND(ISYMOP,ISTBNU(ICENT)) .EQ. 0) THEN
499 X = PT(IAND(ISYMAX(1,1),ISYMOP)) * CORD(1,ICENT)
500 Y = PT(IAND(ISYMAX(2,1),ISYMOP)) * CORD(2,ICENT)
501 Z = PT(IAND(ISYMAX(3,1),ISYMOP)) * CORD(3,ICENT)
504 & NAMN(ICENT),'#',LCENT,' (CENTRE',MCENT,') ',
505 & X,Y,Z, ' CHARGE =', CHARGE(ICENT)