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c61478b
Added basic file
Feb 2, 2015
490cd1b
moved file to src folder
Feb 2, 2015
00e8a77
eliminado lo anterior y reemplazado por el nuevo funcionando con posi…
Feb 3, 2015
3949c9d
arreglar las posiciones ahora correctas
Feb 3, 2015
1585a40
cambiar el Makefile para incluir md_plot
Feb 3, 2015
26bb8c9
arreglo de posiciones otra vez y mejora en velocidades aleatorias
Feb 3, 2015
31e3a27
Merge branch 'master' of https://github.com/Pontigre/molecular_dynamics
Feb 3, 2015
651ed67
poco mas
Feb 3, 2015
5cb69cb
division de modulos, arreglo en poner velocidades a 0,empece fuerzas:…
Feb 4, 2015
9b318da
agregar modulo para cambiar posiciones
Feb 4, 2015
2b118ef
connor's checkin
Feb 4, 2015
126f0e4
Connor again
Feb 4, 2015
a5569ea
Basic gitignore
rayhem Feb 4, 2015
ef4bafa
Remove emacs backup files
rayhem Feb 4, 2015
8269a27
modifications to the Makefile
Feb 4, 2015
0fedbfc
Connor - plplot
Feb 4, 2015
8e1636a
Commmented out all plotting functions
Feb 4, 2015
40233fc
done everything.... for now (32 particles)
Feb 4, 2015
7304fbc
Revert "Commmented out all plotting functions"
Feb 4, 2015
2083bc8
Revert "Connor - plplot"
Feb 4, 2015
28a308a
Revert "modifications to the Makefile"
Feb 4, 2015
2f3cf0a
Revert "Remove emacs backup files"
Feb 4, 2015
8560e1c
Revert "Basic gitignore"
Feb 4, 2015
e14619e
Revert "Connor again"
Feb 4, 2015
f3fdc69
Revert "connor's checkin"
Feb 4, 2015
0db26ad
Revert "agregar modulo para cambiar posiciones"
Feb 4, 2015
5b8b75e
Merge branch 'master' of https://github.com/Pontigre/molecular_dynamics
Feb 4, 2015
720e703
added .gitignore
Feb 5, 2015
f80a155
agregacion del .gitignore file
Feb 5, 2015
6ef9f77
cambio de 2**(2/3) a variable y agregacion de graficos para las energias
Feb 5, 2015
b1a8439
cambio minimo de file output
Feb 5, 2015
4653965
anda cagar
Feb 5, 2015
e8ca227
calcular temperatura final en main
Feb 5, 2015
8c55d99
run graphs
Feb 5, 2015
49e219f
blah
Feb 5, 2015
6f769ed
blah2
Feb 5, 2015
945984d
blah3
Feb 5, 2015
a35c726
agregacion de modulo que mantiene temperatura constante. Poco de orga…
Feb 5, 2015
10149a8
cleanup
Feb 6, 2015
74ef053
fixed the thermostat
Feb 6, 2015
c04cd6d
asdf
Feb 6, 2015
e86c0f6
agregado el thermostat, hay que terminar el pair correlation y a lo m…
Feb 6, 2015
8816a39
correlation function working fine. solo hay que hacer otra cantidad mas
Feb 7, 2015
a7e9237
mejor definicion en pair correlation
Feb 9, 2015
fadf619
un poco de arreglo para mejor lectura
Feb 9, 2015
9a73ed4
commentado los graficos. agregado el calculo de presion
Feb 9, 2015
f62d74d
pequeño arreglo a la presion para hacerla mas efectiva
Feb 10, 2015
03eb903
arreglo del pair correlation (se necesitaba inizializar)
Feb 11, 2015
2f2e3d1
arreglo de pair correlation y presion, ya las dos deberian estar corr…
Feb 12, 2015
3d7f995
la presion ya esta en un array, ya calcule la media y la desviacion e…
Feb 12, 2015
fa5a626
arreglado el problema con menos particulas y ya hecho el error de la …
Feb 17, 2015
2d27e23
Funciona perfectamente, del ultimo a este solo fue reacomodar todo pa…
Feb 18, 2015
7db32ad
Arreglo final de la presion, estabamos calculandola mal, ahora esta b…
Feb 19, 2015
5629558
agregado el modulo de variables globales y funcionando con varias var…
Feb 19, 2015
d781eb4
Subidos los modulos que habia creado y que no se habian subido
Feb 20, 2015
f71e32f
mas variables locales mas facil de leer falta un poco mas
Feb 20, 2015
91b7aa5
file de las graficas
Feb 20, 2015
e3a5267
despues de algunos errores funciona bien...
Feb 20, 2015
ecd6fb1
agregue la capacidad calorifica pero algo esta mal en ella, lo checar…
Feb 21, 2015
de3ec46
arreglado todo, la presion y el cv. ya esta todo funcionando perfecta…
Feb 21, 2015
a587fe5
agregado un archivo del cual se leen los parametros, falta que el pro…
Feb 21, 2015
ee5874d
Ya lee los parametros de un archivo, ya funciona muy bien. Ahora solo…
Feb 21, 2015
ecac42b
Algunos comentarios, ya mañana terminare los comentarios y falta calc…
Feb 27, 2015
b3fa3a6
Ya esta acabadogit statusgit status! Ya tiene todo bien y funcionando…
Feb 28, 2015
7b6e1e9
Ya unos datos sacados. Lo que quiero hacer es comparar los datos obte…
Mar 1, 2015
91cb756
reporte incluido
Mar 1, 2015
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9 changes: 9 additions & 0 deletions .gitignore
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*.o
*.mod
*.f90~
*.out
*.f90
myprog
*.txt
*.png
*.gnu~
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Binary file added Report/img/FCC.PNG
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Binary file added Report/img/LJP.PNG
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Binary file added Report/img/ener_kin.png
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Binary file added Report/img/ener_pot.png
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49 changes: 49 additions & 0 deletions Report/report.aux
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\relax
\providecommand\hyper@newdestlabel[2]{}
\bibstyle{plain}
\providecommand\HyperFirstAtBeginDocument{\AtBeginDocument}
\HyperFirstAtBeginDocument{\ifx\hyper@anchor\@undefined
\global\let\oldcontentsline\contentsline
\gdef\contentsline#1#2#3#4{\oldcontentsline{#1}{#2}{#3}}
\global\let\oldnewlabel\newlabel
\gdef\newlabel#1#2{\newlabelxx{#1}#2}
\gdef\newlabelxx#1#2#3#4#5#6{\oldnewlabel{#1}{{#2}{#3}}}
\AtEndDocument{\ifx\hyper@anchor\@undefined
\let\contentsline\oldcontentsline
\let\newlabel\oldnewlabel
\fi}
\fi}
\global\let\hyper@last\relax
\gdef\HyperFirstAtBeginDocument#1{#1}
\providecommand\HyField@AuxAddToFields[1]{}
\providecommand\HyField@AuxAddToCoFields[2]{}
\citation{JM}
\citation{A&M}
\@writefile{toc}{\contentsline {section}{\numberline {1}Introduction}{3}{section.1}}
\@writefile{toc}{\contentsline {subsection}{\numberline {1.1}FCC}{3}{subsection.1.1}}
\@writefile{lof}{\contentsline {figure}{\numberline {1}{\ignorespaces Points on a face-centered cubic Bravais lattice \relax }}{4}{figure.caption.2}}
\providecommand*\caption@xref[2]{\@setref\relax\@undefined{#1}}
\newlabel{fig:FCC}{{1}{4}{Points on a face-centered cubic Bravais lattice \relax }{figure.caption.2}{}}
\@writefile{toc}{\contentsline {subsection}{\numberline {1.2}Lennard-Jones Potential}{4}{subsection.1.2}}
\@writefile{lof}{\contentsline {figure}{\numberline {2}{\ignorespaces Diagram of the Lennard-Jones Potential \relax }}{5}{figure.caption.3}}
\newlabel{fig:LJP}{{2}{5}{Diagram of the Lennard-Jones Potential \relax }{figure.caption.3}{}}
\citation{Verlet}
\@writefile{toc}{\contentsline {section}{\numberline {2}Methods}{6}{section.2}}
\@writefile{toc}{\contentsline {subsection}{\numberline {2.1}Initialization}{6}{subsection.2.1}}
\@writefile{toc}{\contentsline {subsection}{\numberline {2.2}Time Evolution}{7}{subsection.2.2}}
\newlabel{eq:ratio}{{2.2.4}{7}{Time Evolution}{equation.2.4}{}}
\@writefile{toc}{\contentsline {subsection}{\numberline {2.3}Physical Quantities}{8}{subsection.2.3}}
\newlabel{eq:temp}{{2.3.2}{8}{Physical Quantities}{equation.2.2}{}}
\newlabel{eq:PCF}{{2.3.3}{8}{Physical Quantities}{equation.2.3}{}}
\@writefile{lof}{\contentsline {figure}{\numberline {3}{\ignorespaces Diagram of the Pair Correlation Function \relax }}{9}{figure.caption.4}}
\newlabel{fig:PCF}{{3}{9}{Diagram of the Pair Correlation Function \relax }{figure.caption.4}{}}
\newlabel{eq:pressure}{{2.3.5}{9}{Physical Quantities}{equation.2.5}{}}
\@writefile{toc}{\contentsline {section}{\numberline {3}Results}{10}{section.3}}
\@writefile{toc}{\contentsline {subsection}{\numberline {3.1}Energy}{10}{subsection.3.1}}
\@writefile{toc}{\contentsline {subsection}{\numberline {3.2}Temperature}{11}{subsection.3.2}}
\@writefile{toc}{\contentsline {subsection}{\numberline {3.3}Pair Correlation}{11}{subsection.3.3}}
\@writefile{toc}{\contentsline {subsection}{\numberline {3.4}Pressure}{12}{subsection.3.4}}
\bibcite{A&M}{1}
\bibcite{JM}{2}
\bibcite{Verlet}{3}
\@writefile{toc}{\contentsline {section}{\numberline {4}References}{14}{section.4}}
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