A MONTE-CARLO FORTRAN-200 PROGRAM FOR THE DETERMINATION OF STATIC PROPERTIES OF LIQUIDS VECTORIZED TO RUN ON THE CYBER-205 VECTOR PROCESSING COMPUTER

被引:8
作者
VOGELSANG, R
HOHEISEL, C
机构
[1] Theoretische Chemie, Ruhruniversität Bochum, Universitätsstraße 150, 4630 Bochum, Fed. Rep. Germany
关键词
We thank B. Klare (for typing) and D. Runzer (for graphics). Furthermore; we thank the ‘Re-chenzentrum der Ruhruniversität Bochum’ (for computation time on the CYBER 205) and the ‘Deutsche Forschungsgemeinschaft’ (for financial support: Ho 626/6-2);
D O I
10.1016/0010-4655(87)90002-6
中图分类号
TP39 [计算机的应用];
学科分类号
081203 ; 0835 ;
摘要
12
引用
收藏
页码:209 / 216
页数:8
相关论文
共 12 条
[1]  
[Anonymous], 1979, MONTE CARLO METHODS
[2]  
Frenkel D., 1986, MOL DYNAMICS SIMULAT
[3]  
Hansen J. P., 1976, THEORY SIMPLE LIQUID
[4]   VECTORIZED COMPUTATION OF CORRELATION-FUNCTIONS FROM PHASE-SPACE TRAJECTORIES GENERATED BY MOLECULAR-DYNAMICS CALCULATIONS [J].
HOHEISEL, C ;
SCHOEN, M ;
VOGELSANG, R .
COMPUTER PHYSICS COMMUNICATIONS, 1984, 34 (1-2) :9-13
[5]   PROBLEMS WITH THE RANDOM NUMBER GENERATOR RANF IMPLEMENTED ON THE CDC CYBER-205 [J].
KALLE, C ;
WANSLEBEN, S .
COMPUTER PHYSICS COMMUNICATIONS, 1984, 33 (04) :343-346
[6]   FORCE BIAS MONTE-CARLO SIMULATION OF WATER - METHODOLOGY, OPTIMIZATION AND COMPARISON WITH MOLECULAR-DYNAMICS [J].
RAO, M ;
PANGALI, C ;
BERNE, BJ .
MOLECULAR PHYSICS, 1979, 37 (06) :1773-1798
[7]  
REE FH, 1971, PHYSICAL CHEM ADV A, V8
[8]   RANDOM NUMBERS GENERATED BY LINEAR RECURRENCE MODULO 2 [J].
TAUSWORTHE, RC .
MATHEMATICS OF COMPUTATION, 1965, 19 (90) :201-+
[9]  
VALLEAU JP, 1977, STATISTICAL MECHAN A
[10]   VECTORIZATION OF MOLECULAR-DYNAMICS FORTRAN PROGRAMS USING THE CYBER-205 VECTOR PROCESSING COMPUTER [J].
VOGELSANG, R ;
SCHOEN, M ;
HOHEISEL, C .
COMPUTER PHYSICS COMMUNICATIONS, 1983, 30 (03) :235-241