MDALGO

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MDALGO = 0 | 1 | 2 | 3 | 11 | 21 | 13
Default: MDALGO = 0 

Description: MDALGO specifies the molecular dynamics simulation protocol.

Related Tags and Sections

IBRION, ISIF, SMASS, ANDERSON_PROB, RANDOM_SEED, LBLUEOUT, SHAKETOL, SHAKEMAXITER, HILLS_H, HILLS_W, HILLS_BIN, INCREM, STATUS, VALUE_MIN, VALUE_MAX, LANGEVIN_GAMMA, LANGEVIN_GAMMA_L, PMASS

Contents

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