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Commit JT 042519

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- moved examples/SPIN/gneb/interpolate/ toward
tools/spin/interpolate/gneb
- added gneb in the command files in doc/src
- modified the error messages in neb_spin.h/cpp
This commit is contained in:
julient31
2019-04-25 09:18:33 -06:00
parent b8ae466999
commit 7c3f619e13
13 changed files with 19 additions and 12 deletions
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8
tools/spin/interpolate_gneb/neb_init.dat Normal file
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@ -0,0 +1,8 @@
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0.14285714 -3.9148148 -0.00059075739 2.4573077
0.28571429 -3.9136926 -0.00072315767 2.4573077
0.42857143 -3.9127883 -0.0003191228 2.4573265
0.57142857 -3.9127883 0.0003191228 2.4403341
0.71428571 -3.9136926 0.00072315767 2.4044093
0.85714286 -3.9148148 0.00059075739 2.3766041
1.0000000 -3.915271 -4.1231828e-17 0.0000000