Bug report for 6.3

Vasp transition state theory tools

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Soon Ho Kwon
Posts: 12
Joined: Tue Apr 21, 2015 4:28 am

Bug report for 6.3

Post by Soon Ho Kwon »

IF block is not terminated properly in chain.F of vtstcode6.3

IF (newcar_exists) THEN
CALL RD_POSCAR_HEAD(LATT_CUR, T_I, NIOND, NIONPD, NTYPD, NTYPPD, IO%IU0, IO%IU6)
CALL RD_POSCAR(LATT_CUR, T_I, DYN, NIOND, NIONPD, NTYPD, NTYPPD, IO%IU0, IO%IU6)
posion = DYN%POSION
ENDIF

I think ENDIF should be added, but please confirm it!

Soonho
graeme
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Joined: Tue Apr 26, 2005 4:25 am
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Re: Bug report for 6.3

Post by graeme »

I don't understand this; my 6.3 code looks like:

IF (newcar_exists) THEN
CALL RD_POSCAR_HEAD(LATT_CUR, T_I, NIOND, NIONPD, NTYPD, NTYPPD, IO%IU0, IO%IU6)
CALL RD_POSCAR(LATT_CUR, T_I, DYN, NIOND, NIONPD, NTYPD, NTYPPD, IO%IU0, IO%IU6)
posion = DYN%POSION
CALL unlink("NEWCAR")
ENDIF

which has an endif. It would not compile without one
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