Adding new param files for Czybyszew
authorAdam Sieradzan <adasko@piasek4.chem.univ.gda.pl>
Thu, 14 Jan 2016 11:22:25 +0000 (12:22 +0100)
committerAdam Sieradzan <adasko@piasek4.chem.univ.gda.pl>
Thu, 14 Jan 2016 11:22:25 +0000 (12:22 +0100)
PARAM/GAP_abinitio.torsion.thet.3-6-torv0.parm [new file with mode: 0644]
PARAM/GAP_new_abinitio.thet.parm [new file with mode: 0644]

diff --git a/PARAM/GAP_abinitio.torsion.thet.3-6-torv0.parm b/PARAM/GAP_abinitio.torsion.thet.3-6-torv0.parm
new file mode 100644 (file)
index 0000000..ffd9859
--- /dev/null
@@ -0,0 +1,713 @@
+2 *** Parameters of the backbone valence-torsional potentials derived by integrating MP2/6-31G** local-interaction energy surfaces ***
+1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 0 1
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diff --git a/PARAM/GAP_new_abinitio.thet.parm b/PARAM/GAP_new_abinitio.thet.parm
new file mode 100644 (file)
index 0000000..af6853a
--- /dev/null
@@ -0,0 +1,25 @@
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