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2010-11-30T19:41:06+01:00
2010-11-04T00:52:31Z
2010-11-30T19:41:06+01:00
Jouve S.A., EPO - Publication - KB, TaggedPDF v1.27
EP-0598955-A3-19950412
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EP-0598955-A3-19950412
The present invention is an integral value calculating device for calculating an integral value of a function, and to a function gradient calculating device for calculating the gradient of the graph for a function. It aims at easily obtaining a transport coefficient, etc. by easily designating an appropriate calculation range in analyzing the data outputted by a molecular dynamics simulator. In the integral value calculating device 1, a graph display unit 2 outputs a graph according to received data, for example, a graph of a time correlation function F(t) of the time differential W'(t) to the dynamics volume W(t) in the format applicable to an external unit, for example, a display unit. A calculation range input unit 3 designates an integral range for the function according to the position data externally inputted for the graph. An integral value calculating unit 4 calculates an integral value for a function F(t), for example, for the designated integral range. In the function gradient calculating device, two points on a graph in which the gradient should be calculated are designated according to the position data inputted for a graph displayed on the display unit, for example. Then, a function gradient calculating unit 8 calculates the gradient of the graph, for example, the graph for the mean square displacement G(t) of the dynamics volume W(t), between the two designated points.
The present invention is an integral value calculating device for calculating an integral value of a function, and to a function gradient calculating device for calculating the gradient of the graph for a function. It aims at easily obtaining a transport coefficient, etc. by easily designating an appropriate calculation range in analyzing the data outputted by a molecular dynamics simulator. In the integral value calculating device 1, a graph display unit 2 outputs a graph according to received data, for example, a graph of a time correlation function F(t) of the time differential W'(t) to the dynamics volume W(t) in the format applicable to an external unit, for example, a display unit. A calculation range input unit 3 designates an integral range for the function according to the position data externally inputted for the graph. An integral value calculating unit 4 calculates an integral value for a function F(t), for example, for the designated integral range. In the function gradient calculating device, two points on a graph in which the gradient should be calculated are designated according to the position data inputted for a graph displayed on the display unit, for example. Then, a function gradient calculating unit 8 calculates the gradient of the graph, for example, the graph for the mean square displacement G(t) of the dynamics volume W(t), between the two designated points.
en
European Patent Office
EP0598955
EP 0598955
G06F 15/31
Integral value calculating device and function gradient calculating device
Integral value calculating device and function gradient calculating device - European Patent Office - EP 0598955 A3
Integral value calculating device and function gradient calculating device - European Patent Office - EP 0598955 A3
Adobe PDF Library 8.0
"EP0598955"; "EP 0598955"; "G06F 15/31"; "Integral value calculating device and function gradient calculating device"
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0598955
A3
1995-04-12
92310825
1992-11-26
JP
31060491
1991-11-26
G06F 15/31
FUJITSU LIMITED
Namiki, Takefumi, c/o Fujitsu Limited
Mikami, Mashuhiro, c/o Fujitsu Limited
Stebbing, Timothy Charles et al
Integral value calculating device and function gradient calculating device
Integralwertberechnende Vorrichtung und Funktionsgradientwertberechnende Vorrichtung
Integral value calculating device and function gradient calculating device
Dispositif de calcul de valeur d'intégrale et dispositif de calcul de gradient de fonction
The present invention is an integral value calculating device for calculating an integral value of a function, and to a function gradient calculating device for calculating the gradient of the graph for a function. It aims at easily obtaining a transport coefficient, etc. by easily designating an appropriate calculation range in analyzing the data outputted by a molecular dynamics simulator. In the integral value calculating device 1, a graph display unit 2 outputs a graph according to received data, for example, a graph of a time correlation function F(t) of the time differential W'(t) to the dynamics volume W(t) in the format applicable to an external unit, for example, a display unit. A calculation range input unit 3 designates an integral range for the function according to the position data externally inputted for the graph. An integral value calculating unit 4 calculates an integral value for a function F(t), for example, for the designated integral range. In the function gradient calculating device, two points on a graph in which the gradient should be calculated are designated according to the position data inputted for a graph displayed on the display unit, for example. Then, a function gradient calculating unit 8 calculates the gradient of the graph, for example, the graph for the mean square displacement G(t) of the dynamics volume W(t), between the two designated points.
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