random_perp

[shifanmao]

Received

Error in random_perp, please give me a unit vector with the following input

(may take a long time to reproduce)

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Keys for a simple melt calculation

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Simulation basics

SETTYPE 1
CONFINETYPE 0
SIMTYPE 0
STRENGTH_SCHEDULE T
FRMCHEM F
FRMMETH F
PTON T

Chain parameters

G 10
N 2
FA 0.5
LAM -1.00
EPS 5.00
L0 4.0716
V 0.1

Simulation parameters

FPOLY 1.0
LBOX 20
DEL 1.0000
CHI 1.0
KAP 10
H_A 0.0

Simulation schedule

NSTEP 4000000
NPT 100
NNOINT 10
INDMAX 500
N_KAP_ON 10
N_CHI_ON 15

Parallel-tempering schedule and setup

IND_START_REP_ADAPT 15
IND_END_REP_ADAPT 25
N_REP_ADAPT 1000
LOWER_REP_EXE 0.12
UPPER_REP_EXE 0.22
LOWER_COF_RAIL 0.05
UPPER_COF_RAIL 0.5
REP_ANNEAL_SPEED 0.01
REPLICA_BOUNDS F
INITIAL_MAX_S 0.1
PT_CHI T

Monte-Carlo settings

CRANK_SHAFT_ON 1
SLIDE_ON 1
PIVOT_ON 1
ROTATE_ON 1
FULL_CHAIN_ROTATION_ON 1
FULL_CHAIN_SLIDE_ON 1
BIND_MOVE_ON 0
CHAIN_FLIP_MOVE_ON 0
CHAIN_SWAP_MOVE_ON 1
REPTATION_MOVE_ON 1
RECENTER_ON T
WINTYPE 1
MIN_SLIDE_WIN 6
MIN_PIVOT_WIN 6
MIN_ACCEPT 0.1
REDUCE_MOVE 6
SAVE_U T T