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大量處理(作圖)二維數據的好工具 - xmgrace 已有1人参与
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?????????????????????????S??????ù??? - xmgrace ?????b?????v?? ???c??v xmgrace ?????????~???????????Y?????} ??o?????Щ?D? http://www.beilstein-journals.or ... p;background=FFFFFF http://www.intechopen.com/source/html/17507/media/image8.jpeg http://www.intechopen.com/source/html/17504/media/image16.png ????@???????? DOS or band structures ????????D?e ???????????????@??r??????? ???????????????????????????????????? ?e?[??~?@?????M?r?M????????????????? ????~????N?k?? ????????? xmgrace ????~??r?????????? ???f??? xmgrace ???????c 1) ??????????? 2) ???b?n??С??????? 3) ???M 4) ????? shell script ???κγ???Z??????? ????c??????????c 1) ?]?? undo?????????~????????κ?????E???e??~ ???????????sorry ... xmgrace ?]?@???? 2) ?]?? windows ?汾.... ????????X~??? linux ?汾 3) windows ???????? xmgrace ????l·???x 1. ???k?????b X enviroment (xming, xwin32, xmanager ....) 2. ???b cygwin~ cygwin ???A?O????? xmgrace ?b?M? ?U??????f~??????M???c ??????? xmgrace ?? http://www.intechopen.com/source/html/17504/media/image16.png ?@?N?D (?@???D?????īI?W??? http://www.intechopen.com/books/ ... orption-on-graphene ) ????N?? 1) ???????е? data files ???@???????f~???? 4x4 ???D ????D?? local density of stat, s-, p-, d- orbitals ??l???????????? ????????? 4x4x4 ?M?Y?? ??????? 4x4 ???n??~????n?????? 4 ???Y??~????Y?????g?????????? ??n?????Q??e?? 01.dat 02.dat 03.dat .... 15.dat 16.dat 2) ??????????~????D??????o??(????????L?????? \ ???????B??) xmgrace -free -pexec "ARRANGE(4,4,0.05,0.02,0.03)" \ -graph 0 01.dat -graph 1 02.dat -graph 2 03.dat -graph 3 04.dat \ -graph 0 05.dat -graph 1 06.dat -graph 2 07.dat -graph 3 08.dat \ -graph 0 09.dat -graph 1 10.dat -graph 2 11.dat -graph 3 12.dat \ -graph 0 13.dat -graph 1 14.dat -graph 2 15.dat -graph 3 16.dat ??????? shell script ?t???? comm1="-free -pexec $quote ARRANGE(4,4,0.05,0.02,0.03) $quote " for a in `seq -w 1 16`; do b=`expr $a - 1` c=`expr $a - 0` comm[${c}]="-graph $b $a.dat " done xmgrace $comm1 ${comm[@]} ???????????D???r?ξ?????? ???????????Щ??{~?{?????????B ????~?f??????@Щ????????? 1) xmgrace ??????_ xmgrace 2) xmgrace -free ?????? free format ???????_?? ?A?O xmgrace ?_???r~?e??D????????S?????????? -free ???????D?c????????? ?? -free ?c?] -free ?????и????? 3) xmgrace -free -pexec "ARRANGE(4,4,0.05,0.02,0.03)" ?? xmgrace ?_ 4x4 ???D (ARRANGE) ARRANGE ???????e?? ?Д?(4), ?Д?(4), ?D?c????λ????(0.05), ???c???g??(0.02), ???c???g??(0.03) 4) -graph 0 01.dat ?@??????? "?D0???01.dat?@???n(?n??????M????~?????????l??)" ?? xmgrace ??~??????D?? G0 ~ ???? G1 ????~~~?Y?? |
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