Add files via upload

Author: yangwangmadrid

examples/PtCl4-2_MBFO-1.jmol

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+zap
+set frank off
+background white
+load PtCl4-2_MBFO-A1.cube
+isosurface A cutoff 0.05 sign red blue PtCl4-2_MBFO-A1.cube translucent 0.3
+isosurface B cutoff 0.05 sign pink skyblue PtCl4-2_MBFO-B1.cube translucent 0.3
+
+write image 800 800 PtCl4-2_MBFO-1.png

examples/PtCl4-2_MBFO-1.png

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+zap
+set frank off
+background white
+load PtCl4-2_MBFO-A2.cube
+isosurface A cutoff 0.05 sign red blue PtCl4-2_MBFO-A2.cube translucent 0.3
+isosurface B cutoff 0.05 sign pink skyblue PtCl4-2_MBFO-B2.cube translucent 0.3
+
+write image 800 800 PtCl4-2_MBFO-2.png

examples/PtCl4-2_MBFO-2.jmol

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+#!/bin/sh
+
+cubegen 0 mo=1 PtCl4-2_MBFO.fchk PtCl4-2_MBFO-A1.cube -3 h
+cubegen 0 mo=23 PtCl4-2_MBFO.fchk PtCl4-2_MBFO-B1.cube -3 h
+cubegen 0 mo=2 PtCl4-2_MBFO.fchk PtCl4-2_MBFO-A2.cube -3 h
+cubegen 0 mo=24 PtCl4-2_MBFO.fchk PtCl4-2_MBFO-B2.cube -3 h
+
+echo DONE
+