diff --git a/.gitattributes b/.gitattributes index 18d485e2373cf536eb8cb793a8021937754d932a..d41fcefedf280a83772946bb5bfd99b3efae46f6 100644 --- a/.gitattributes +++ b/.gitattributes @@ -289,3 +289,53 @@ molecular-dynamics/ir_spectra178.csv filter=lfs diff=lfs merge=lfs -text molecular-dynamics/ir_spectra409.csv filter=lfs diff=lfs merge=lfs -text molecular-dynamics/ir_spectra288.csv filter=lfs diff=lfs merge=lfs -text molecular-dynamics/ir_spectra277.csv filter=lfs diff=lfs merge=lfs -text +data/molecular-dynamics/ir_spectra609.csv filter=lfs diff=lfs merge=lfs -text +data/molecular-dynamics/ir_spectra86.csv filter=lfs diff=lfs merge=lfs -text +data/molecular-dynamics/ir_spectra131.csv filter=lfs diff=lfs merge=lfs -text +data/molecular-dynamics/ir_spectra545.csv filter=lfs diff=lfs merge=lfs -text +data/molecular-dynamics/ir_spectra604.csv filter=lfs diff=lfs merge=lfs -text +data/molecular-dynamics/ir_spectra281.csv filter=lfs diff=lfs merge=lfs -text +data/molecular-dynamics/ir_spectra1064.csv filter=lfs diff=lfs merge=lfs -text +data/molecular-dynamics/ir_spectra280.csv filter=lfs diff=lfs merge=lfs -text +data/molecular-dynamics/ir_spectra261.csv filter=lfs diff=lfs merge=lfs -text +data/molecular-dynamics/ir_spectra511.csv filter=lfs diff=lfs merge=lfs -text +data/molecular-dynamics/ir_spectra17.csv filter=lfs diff=lfs merge=lfs -text +data/molecular-dynamics/ir_spectra124.csv filter=lfs diff=lfs merge=lfs -text +data/molecular-dynamics/ir_spectra23.csv filter=lfs diff=lfs merge=lfs -text +data/molecular-dynamics/ir_spectra92.csv filter=lfs diff=lfs merge=lfs -text +data/molecular-dynamics/ir_spectra639.csv filter=lfs diff=lfs merge=lfs -text +data/molecular-dynamics/ir_spectra583.csv filter=lfs diff=lfs merge=lfs -text +data/molecular-dynamics/ir_spectra151.csv filter=lfs diff=lfs merge=lfs -text +data/molecular-dynamics/ir_spectra195.csv filter=lfs diff=lfs merge=lfs -text +data/molecular-dynamics/ir_spectra67.csv filter=lfs diff=lfs merge=lfs -text +data/molecular-dynamics/ir_spectra619.csv filter=lfs diff=lfs merge=lfs -text +data/molecular-dynamics/ir_spectra1044.csv filter=lfs diff=lfs merge=lfs -text +data/molecular-dynamics/ir_spectra88.csv filter=lfs diff=lfs merge=lfs -text +data/molecular-dynamics/ir_spectra37.csv filter=lfs diff=lfs merge=lfs -text +data/molecular-dynamics/ir_spectra14.csv filter=lfs diff=lfs merge=lfs -text +data/molecular-dynamics/ir_spectra518.csv filter=lfs diff=lfs merge=lfs -text +data/molecular-dynamics/ir_spectra551.csv filter=lfs diff=lfs merge=lfs -text +data/molecular-dynamics/ir_spectra122.csv filter=lfs diff=lfs merge=lfs -text +data/molecular-dynamics/ir_spectra581.csv filter=lfs diff=lfs merge=lfs -text +data/molecular-dynamics/ir_spectra566.csv filter=lfs diff=lfs merge=lfs -text +data/molecular-dynamics/ir_spectra411.csv filter=lfs diff=lfs merge=lfs -text +data/molecular-dynamics/ir_spectra441.csv filter=lfs diff=lfs merge=lfs -text +data/molecular-dynamics/ir_spectra467.csv filter=lfs diff=lfs merge=lfs -text +data/molecular-dynamics/ir_spectra514.csv filter=lfs diff=lfs merge=lfs -text +data/molecular-dynamics/ir_spectra1070.csv filter=lfs diff=lfs merge=lfs -text +data/molecular-dynamics/ir_spectra21.csv filter=lfs diff=lfs merge=lfs -text +data/molecular-dynamics/ir_spectra223.csv filter=lfs diff=lfs merge=lfs -text +data/molecular-dynamics/ir_spectra99.csv filter=lfs diff=lfs merge=lfs -text +data/molecular-dynamics/ir_spectra59.csv filter=lfs diff=lfs merge=lfs -text +data/molecular-dynamics/ir_spectra73.csv filter=lfs diff=lfs merge=lfs -text +data/molecular-dynamics/ir_spectra399.csv filter=lfs diff=lfs merge=lfs -text +data/molecular-dynamics/ir_spectra167.csv filter=lfs diff=lfs merge=lfs -text +data/molecular-dynamics/ir_spectra470.csv filter=lfs diff=lfs merge=lfs -text +data/molecular-dynamics/ir_spectra104.csv filter=lfs diff=lfs merge=lfs -text +data/molecular-dynamics/ir_spectra189.csv filter=lfs diff=lfs merge=lfs -text +data/molecular-dynamics/ir_spectra46.csv filter=lfs diff=lfs merge=lfs -text +data/molecular-dynamics/ir_spectra637.csv filter=lfs diff=lfs merge=lfs -text +data/molecular-dynamics/ir_spectra228.csv filter=lfs diff=lfs merge=lfs -text +data/molecular-dynamics/ir_spectra173.csv filter=lfs diff=lfs merge=lfs -text +data/molecular-dynamics/ir_spectra525.csv filter=lfs diff=lfs merge=lfs -text +data/molecular-dynamics/ir_spectra574.csv filter=lfs diff=lfs merge=lfs -text diff --git a/data/molecular-dynamics/ir_spectra104.csv b/data/molecular-dynamics/ir_spectra104.csv new file mode 100644 index 0000000000000000000000000000000000000000..a3721ebed0bfe03b203e14797b85617749195725 --- /dev/null +++ b/data/molecular-dynamics/ir_spectra104.csv @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f026b42ad88f704e116756ac100f4e9e9814fa818163c616959bc03913c90ad5 +size 171659194 diff --git a/data/molecular-dynamics/ir_spectra1044.csv b/data/molecular-dynamics/ir_spectra1044.csv new file mode 100644 index 0000000000000000000000000000000000000000..bebd125b28f8c8ddc71d0b64b01973b9056b4951 --- /dev/null +++ b/data/molecular-dynamics/ir_spectra1044.csv @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d043325c0a8d4609f8636718454fd2d8d7a8b91037334ce29a0d00720f836035 +size 168623647 diff --git a/data/molecular-dynamics/ir_spectra1064.csv b/data/molecular-dynamics/ir_spectra1064.csv new file mode 100644 index 0000000000000000000000000000000000000000..cc44349eb9f720787f9eb331fadb1757ff958a54 --- /dev/null +++ b/data/molecular-dynamics/ir_spectra1064.csv @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:10dcd0603f1087e918cf56fafba56afd649340a971518200680d04400dc17328 +size 171209508 diff --git a/data/molecular-dynamics/ir_spectra1070.csv b/data/molecular-dynamics/ir_spectra1070.csv new file mode 100644 index 0000000000000000000000000000000000000000..ddd1001f5ef7146bef624f83b13783e876bea92e --- /dev/null +++ b/data/molecular-dynamics/ir_spectra1070.csv @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:60c32b96e873694feb295d60312618644434cc80dc2a909622aae12752e0b395 +size 166295469 diff --git a/data/molecular-dynamics/ir_spectra122.csv b/data/molecular-dynamics/ir_spectra122.csv new file mode 100644 index 0000000000000000000000000000000000000000..5015371ef780689d05c45303d348b0992b8b3d7d --- /dev/null +++ b/data/molecular-dynamics/ir_spectra122.csv @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:baa26307cc9ba547035c752210c230a8940886a185eb35921d55c75e9eefc9ea +size 173329411 diff --git a/data/molecular-dynamics/ir_spectra124.csv b/data/molecular-dynamics/ir_spectra124.csv new file mode 100644 index 0000000000000000000000000000000000000000..f61066af28bfde2b04eccaa1025bf3f76943e289 --- /dev/null +++ b/data/molecular-dynamics/ir_spectra124.csv @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:03247cbc262158fb962f7754144fa6de1a3f80c6ea3c83db13580d49f6ebd755 +size 160410683 diff --git a/data/molecular-dynamics/ir_spectra131.csv b/data/molecular-dynamics/ir_spectra131.csv new file mode 100644 index 0000000000000000000000000000000000000000..c68a22b0f6b8052ae0b560d172cc1a54b4134b78 --- /dev/null +++ b/data/molecular-dynamics/ir_spectra131.csv @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:53f48d2e31a9c13a5cf758709d9454b03dfc0e2dd8c58ac1689b76d48db74bfe +size 166342403 diff --git a/data/molecular-dynamics/ir_spectra14.csv b/data/molecular-dynamics/ir_spectra14.csv new file mode 100644 index 0000000000000000000000000000000000000000..8425c7e8a80c6db82400f1d5d40a6a30d5176ecf --- /dev/null +++ b/data/molecular-dynamics/ir_spectra14.csv @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b1c325a25d3335a3c59033956c5bf6c1ffce6d12f2b2d92d0dc690b90ac45bec +size 171673987 diff --git a/data/molecular-dynamics/ir_spectra151.csv b/data/molecular-dynamics/ir_spectra151.csv new file mode 100644 index 0000000000000000000000000000000000000000..661668b03fd92d1a140af4a7ddc1ee50aff2db56 --- /dev/null +++ b/data/molecular-dynamics/ir_spectra151.csv @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0069c55f56d980f5c92228ad8bed5094c3c77d65fda6322a831a449a504e2606 +size 168372354 diff --git a/data/molecular-dynamics/ir_spectra167.csv b/data/molecular-dynamics/ir_spectra167.csv new file mode 100644 index 0000000000000000000000000000000000000000..643081a8ce99ddbe4b1b2c814204322f2029dcb8 --- /dev/null +++ b/data/molecular-dynamics/ir_spectra167.csv @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9b379e268f7dce9c882a820a4660ca8cbf02d28e45e1dc30e5282f01b335be93 +size 172144983 diff --git a/data/molecular-dynamics/ir_spectra17.csv b/data/molecular-dynamics/ir_spectra17.csv new file mode 100644 index 0000000000000000000000000000000000000000..1bdd51ea130f6ebb3cf2f1f391e28876b4ae12c1 --- /dev/null +++ b/data/molecular-dynamics/ir_spectra17.csv @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:3e0f141ae6545796450bd711571a640de356dfcd980e0bcc23b98ba86f6150bb +size 169564332 diff --git a/data/molecular-dynamics/ir_spectra173.csv b/data/molecular-dynamics/ir_spectra173.csv new file mode 100644 index 0000000000000000000000000000000000000000..e5e8fb792991386658b63a33682a254a57fcdac7 --- /dev/null +++ b/data/molecular-dynamics/ir_spectra173.csv @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:948df0ebc193be60416594f64271cd5fda16e7677b8a80eb4d5b96df44a3251c +size 172799025 diff --git a/data/molecular-dynamics/ir_spectra189.csv b/data/molecular-dynamics/ir_spectra189.csv new file mode 100644 index 0000000000000000000000000000000000000000..df07cd673d3e442fc739ce06be67ded5eee0c412 --- /dev/null +++ b/data/molecular-dynamics/ir_spectra189.csv @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d37459f2cf5494ba027861e837960968e98d6c380e10a13a61da0d267e51d419 +size 169885631 diff --git a/data/molecular-dynamics/ir_spectra195.csv b/data/molecular-dynamics/ir_spectra195.csv new file mode 100644 index 0000000000000000000000000000000000000000..55f760c69e94933838ef2f4bfdf8cf28f620d779 --- /dev/null +++ b/data/molecular-dynamics/ir_spectra195.csv @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a9545bab777c06bcac853842b2366778ce3bf934253ddd711746fee57c5f3958 +size 171785089 diff --git a/data/molecular-dynamics/ir_spectra21.csv b/data/molecular-dynamics/ir_spectra21.csv new file mode 100644 index 0000000000000000000000000000000000000000..40da189bd0c1682ef40972b6fe11e5a1c7558d90 --- /dev/null +++ b/data/molecular-dynamics/ir_spectra21.csv @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0c30fae64ed89090b44621d5cb08cde7921cd5bf83e31bc36f5d20d44bc6535b +size 172241969 diff --git a/data/molecular-dynamics/ir_spectra223.csv b/data/molecular-dynamics/ir_spectra223.csv new file mode 100644 index 0000000000000000000000000000000000000000..78cdef14444326aaaeef06688a3e8397f9e0acaf --- /dev/null +++ b/data/molecular-dynamics/ir_spectra223.csv @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:56e62d0e2c36b04f9344b9a918c3e007495434eb9664dee00f270539f5068737 +size 169281880 diff --git a/data/molecular-dynamics/ir_spectra228.csv b/data/molecular-dynamics/ir_spectra228.csv new file mode 100644 index 0000000000000000000000000000000000000000..cd54e48bb78038166f825d69ecdc0da4c730f94c --- /dev/null +++ b/data/molecular-dynamics/ir_spectra228.csv @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:290575467dfe569b86016ccdd3e9f0465678f9c8644b82e9a0482eacdad901b5 +size 172014470 diff --git a/data/molecular-dynamics/ir_spectra23.csv b/data/molecular-dynamics/ir_spectra23.csv new file mode 100644 index 0000000000000000000000000000000000000000..37b4b1e67a4fd1e1f50768555030fbacb24ece58 --- /dev/null +++ b/data/molecular-dynamics/ir_spectra23.csv @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5f153e40271fe7f104f2e03e6e25fa2dc48f601c28c32c99a740b1fa35fceff3 +size 170218503 diff --git a/data/molecular-dynamics/ir_spectra261.csv b/data/molecular-dynamics/ir_spectra261.csv new file mode 100644 index 0000000000000000000000000000000000000000..14b762df35a5d27932979f80c4a56020951e665d --- /dev/null +++ b/data/molecular-dynamics/ir_spectra261.csv @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a3c2ae851aaee44cad0e4c6c0cee5cde57a5a5bbe2bad62ddf937eb369a9e80b +size 173085883 diff --git a/data/molecular-dynamics/ir_spectra280.csv b/data/molecular-dynamics/ir_spectra280.csv new file mode 100644 index 0000000000000000000000000000000000000000..99b00a03c46b0dbf4dddbfb6b9165e798ecba382 --- /dev/null +++ b/data/molecular-dynamics/ir_spectra280.csv @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d6b5556901bd402500a48622498b19604f8fe516885eca2017a2e3a2f7256c6a +size 167967837 diff --git a/data/molecular-dynamics/ir_spectra281.csv b/data/molecular-dynamics/ir_spectra281.csv new file mode 100644 index 0000000000000000000000000000000000000000..01899f942751ad831914dc62a4ddf567a807d6d1 --- /dev/null +++ b/data/molecular-dynamics/ir_spectra281.csv @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a407bbefb3d2bb7e33a1bf79ea6417164726860a8ab2047b7e1418c9c3a32aa6 +size 165656892 diff --git a/data/molecular-dynamics/ir_spectra37.csv b/data/molecular-dynamics/ir_spectra37.csv new file mode 100644 index 0000000000000000000000000000000000000000..6f84311719784bb91553209e7672e7b7450838ba --- /dev/null +++ b/data/molecular-dynamics/ir_spectra37.csv @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:15db8c416065277302f7918e9a052f4ac659329bbf6e9298c494c2de6f7dea28 +size 172700955 diff --git a/data/molecular-dynamics/ir_spectra399.csv b/data/molecular-dynamics/ir_spectra399.csv new file mode 100644 index 0000000000000000000000000000000000000000..14432d2d94a40bb274b01ca30bae22fd2bcf0940 --- /dev/null +++ b/data/molecular-dynamics/ir_spectra399.csv @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f19ee89122f07b63d744cffc51a9f10287feea28e9fe632fedf82fed90c81a3c +size 172602146 diff --git a/data/molecular-dynamics/ir_spectra411.csv b/data/molecular-dynamics/ir_spectra411.csv new file mode 100644 index 0000000000000000000000000000000000000000..33fabfe808015f371b91f790807730a3634687b8 --- /dev/null +++ b/data/molecular-dynamics/ir_spectra411.csv @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:8a13fd71d375fcee4d8c8addf822de85fdbea50f4354d70aaf90144e48fbe2a7 +size 170923853 diff --git a/data/molecular-dynamics/ir_spectra441.csv b/data/molecular-dynamics/ir_spectra441.csv new file mode 100644 index 0000000000000000000000000000000000000000..a8deab836aaaaae55b25e087c8d3c852259a8345 --- /dev/null +++ b/data/molecular-dynamics/ir_spectra441.csv @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9f9c2100282a8a6ba7ae34bfbfcafac8480be5920da5ded6e74c4ec8d4c5b564 +size 170144993 diff --git a/data/molecular-dynamics/ir_spectra46.csv b/data/molecular-dynamics/ir_spectra46.csv new file mode 100644 index 0000000000000000000000000000000000000000..1dbcdd60f2b148c13132d75edf65205b61661c73 --- /dev/null +++ b/data/molecular-dynamics/ir_spectra46.csv @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:6ef0f9c6642a9d239630fce0a5f429081c8403792da8e79cbc9739f7c2e89c9d +size 165110809 diff --git a/data/molecular-dynamics/ir_spectra467.csv b/data/molecular-dynamics/ir_spectra467.csv new file mode 100644 index 0000000000000000000000000000000000000000..0938b429cd2a3760ee635c69c8605c40d1d1d1d5 --- /dev/null +++ b/data/molecular-dynamics/ir_spectra467.csv @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b38546d1c6ecc24ac2d5bb323760a6d14daa06cd71ce64a4db0c08704ccf1e52 +size 171125801 diff --git a/data/molecular-dynamics/ir_spectra470.csv b/data/molecular-dynamics/ir_spectra470.csv new file mode 100644 index 0000000000000000000000000000000000000000..b7e044da2fc55989abc63bd0051d37c190bdce05 --- /dev/null +++ b/data/molecular-dynamics/ir_spectra470.csv @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:cf6649c87353577850b0bf54493d1d7f6fe2413eb5748d0aa81f2898ef035211 +size 169374215 diff --git a/data/molecular-dynamics/ir_spectra511.csv b/data/molecular-dynamics/ir_spectra511.csv new file mode 100644 index 0000000000000000000000000000000000000000..cdb7f56ca3d71d7354cdc0ad3a0350d5ed60579a --- /dev/null +++ b/data/molecular-dynamics/ir_spectra511.csv @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a97105d4208636cf14c4c05035ace52c258d92825b8459efb9730d77d4f1de27 +size 167624981 diff --git a/data/molecular-dynamics/ir_spectra514.csv b/data/molecular-dynamics/ir_spectra514.csv new file mode 100644 index 0000000000000000000000000000000000000000..4250ac7729889cdd810d51cc5d5df8ecea6aca3a --- /dev/null +++ b/data/molecular-dynamics/ir_spectra514.csv @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5fbb62fee939f2b2a6a9ff9c4a12808e9bf74b7cc6286d89ec9db2005ef9f4b1 +size 168194813 diff --git a/data/molecular-dynamics/ir_spectra518.csv b/data/molecular-dynamics/ir_spectra518.csv new file mode 100644 index 0000000000000000000000000000000000000000..dea8a662ab45724ac3992820c125f897d2eb14d3 --- /dev/null +++ b/data/molecular-dynamics/ir_spectra518.csv @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:b74542e741bc620ef0fe6baed1b4ca6eb2e03965c31407998e878bf96ea014f9 +size 166265875 diff --git a/data/molecular-dynamics/ir_spectra525.csv b/data/molecular-dynamics/ir_spectra525.csv new file mode 100644 index 0000000000000000000000000000000000000000..1100c9ced6a327746a0d11c92402d3a0aa111862 --- /dev/null +++ b/data/molecular-dynamics/ir_spectra525.csv @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a573db616ce8ee6d18233b97af2741fd9e2ace53d20fcc9dad3db2374d32f15e +size 173045121 diff --git a/data/molecular-dynamics/ir_spectra545.csv b/data/molecular-dynamics/ir_spectra545.csv new file mode 100644 index 0000000000000000000000000000000000000000..eebb29b43780eaa9c11d6dacb274a5e0538b0479 --- /dev/null +++ b/data/molecular-dynamics/ir_spectra545.csv @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:2d68628fb9449855dcec2a3b032744a6670de2f4c76eff8d8bd8f779e489962a +size 171509830 diff --git a/data/molecular-dynamics/ir_spectra551.csv b/data/molecular-dynamics/ir_spectra551.csv new file mode 100644 index 0000000000000000000000000000000000000000..2aeb96678db158e0245f89672fe180e3875e45e4 --- /dev/null +++ b/data/molecular-dynamics/ir_spectra551.csv @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:88186815d53abf9f3bbe48169a03e94d4d40c15a9fba6eb090ad1d936b52e520 +size 172279895 diff --git a/data/molecular-dynamics/ir_spectra566.csv b/data/molecular-dynamics/ir_spectra566.csv new file mode 100644 index 0000000000000000000000000000000000000000..777dd8f61207c6491cbe420577d64c9afdeefc86 --- /dev/null +++ b/data/molecular-dynamics/ir_spectra566.csv @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:06e5e998d0448af890602a22d3e5f62dc03070bec548c90adcbd0e784368a2f3 +size 171959605 diff --git a/data/molecular-dynamics/ir_spectra574.csv b/data/molecular-dynamics/ir_spectra574.csv new file mode 100644 index 0000000000000000000000000000000000000000..170a4880a512a2839964ee7ffcf8f8adab574c82 --- /dev/null +++ b/data/molecular-dynamics/ir_spectra574.csv @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:93b0236e53aaf0efa654354f31c03b8a76c886488dd7379ca83728c604fdc599 +size 167616322 diff --git a/data/molecular-dynamics/ir_spectra581.csv b/data/molecular-dynamics/ir_spectra581.csv new file mode 100644 index 0000000000000000000000000000000000000000..93375244bf12750f0bd8ac03a768fb49a3973038 --- /dev/null +++ b/data/molecular-dynamics/ir_spectra581.csv @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a89d263c5309138dff60af16c6304dab0edbfea2c32b7b57cf97ec14a2092af2 +size 171854422 diff --git a/data/molecular-dynamics/ir_spectra583.csv b/data/molecular-dynamics/ir_spectra583.csv new file mode 100644 index 0000000000000000000000000000000000000000..c9a1108b99d065d3c4a1fe0bb60c47a9a6d5c5e0 --- /dev/null +++ b/data/molecular-dynamics/ir_spectra583.csv @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:85d5541050e71aaee3c152a7b009ac0fc4d32d6e18d8193cea4ce0e9178cac06 +size 172584487 diff --git a/data/molecular-dynamics/ir_spectra59.csv b/data/molecular-dynamics/ir_spectra59.csv new file mode 100644 index 0000000000000000000000000000000000000000..ca9e9f25d346bf91daca45f14469b23f90ec13ab --- /dev/null +++ b/data/molecular-dynamics/ir_spectra59.csv @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:a413389305e0494d1f1bdf825328ee19551e2c67364b83c100c01757cec3cbfc +size 166146094 diff --git a/data/molecular-dynamics/ir_spectra604.csv b/data/molecular-dynamics/ir_spectra604.csv new file mode 100644 index 0000000000000000000000000000000000000000..7ce0ab9235873f85503ec2062c00e12b839d298f --- /dev/null +++ b/data/molecular-dynamics/ir_spectra604.csv @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:918398216763d0578d4f44c9aaccce6526d71eb9dcd25a25a5db9c466ea86ae7 +size 167809100 diff --git a/data/molecular-dynamics/ir_spectra609.csv b/data/molecular-dynamics/ir_spectra609.csv new file mode 100644 index 0000000000000000000000000000000000000000..bf09bd7784536f8335637cc95fdff44ae1ac4666 --- /dev/null +++ b/data/molecular-dynamics/ir_spectra609.csv @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:624d72f1bf93049653575c08f00f15e57e0eb24c5a26f9499dbb9344c4848a10 +size 168906458 diff --git a/data/molecular-dynamics/ir_spectra619.csv b/data/molecular-dynamics/ir_spectra619.csv new file mode 100644 index 0000000000000000000000000000000000000000..73d0d0eac07966c3b447dcadc79129cb122c22ef --- /dev/null +++ b/data/molecular-dynamics/ir_spectra619.csv @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9c7ee3cc8cbf2f98612aaef11bae2b604b2ac7640911b1066065eba8f0fd0515 +size 170888983 diff --git a/data/molecular-dynamics/ir_spectra637.csv b/data/molecular-dynamics/ir_spectra637.csv new file mode 100644 index 0000000000000000000000000000000000000000..ab925fd5665244fd407562785d8e02b11ed12fed --- /dev/null +++ b/data/molecular-dynamics/ir_spectra637.csv @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:25c10c018f876566363c5b3bc1c26654c0c300af9f62d87bd1e8fe8072183133 +size 171831642 diff --git a/data/molecular-dynamics/ir_spectra639.csv b/data/molecular-dynamics/ir_spectra639.csv new file mode 100644 index 0000000000000000000000000000000000000000..81aa50893aa8d6b93a775f1692f7a01ad06122cd --- /dev/null +++ b/data/molecular-dynamics/ir_spectra639.csv @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:32fccb97207aac7201a1e48bee154ed6113432a5754f2cbdf33518799f8ecee9 +size 172782632 diff --git a/data/molecular-dynamics/ir_spectra67.csv b/data/molecular-dynamics/ir_spectra67.csv new file mode 100644 index 0000000000000000000000000000000000000000..435d8731faf8a2a4a5389e4f7fc192f283313941 --- /dev/null +++ b/data/molecular-dynamics/ir_spectra67.csv @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:02b1f3d00aa615b1332767baf5ae97f6ce7a7ac3da28d0395fe305b1eca5f9d6 +size 172435097 diff --git a/data/molecular-dynamics/ir_spectra73.csv b/data/molecular-dynamics/ir_spectra73.csv new file mode 100644 index 0000000000000000000000000000000000000000..dba06e35934af37d68cdc96919274e251da15b2b --- /dev/null +++ b/data/molecular-dynamics/ir_spectra73.csv @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:f7a1d73e1bafe5e5ad169ddef29d3ae3ed2e8a2ecc2a9e9e22a1b8ddd0f8280c +size 171477829 diff --git a/data/molecular-dynamics/ir_spectra86.csv b/data/molecular-dynamics/ir_spectra86.csv new file mode 100644 index 0000000000000000000000000000000000000000..e878aea1e76d7d14f20e29c2c7e99c2712c4180d --- /dev/null +++ b/data/molecular-dynamics/ir_spectra86.csv @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:33378ad12d881fc5fbf81ce9f6d4285f257fc0424fe5f25fb00a9817b391f3f3 +size 171932921 diff --git a/data/molecular-dynamics/ir_spectra88.csv b/data/molecular-dynamics/ir_spectra88.csv new file mode 100644 index 0000000000000000000000000000000000000000..8f4a7bdd338f0650d3dc807cedbf79e066a4033f --- /dev/null +++ b/data/molecular-dynamics/ir_spectra88.csv @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:1e5b43d5987772976ee84523059303d2ddac5cf02b19e8099230b1bad70cb3ed +size 172461826 diff --git a/data/molecular-dynamics/ir_spectra92.csv b/data/molecular-dynamics/ir_spectra92.csv new file mode 100644 index 0000000000000000000000000000000000000000..fbbbfcb1a73d42491284607f8e25dc7fe8cd318e --- /dev/null +++ b/data/molecular-dynamics/ir_spectra92.csv @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:c1c28e6fb051eb2d014eace289b9a632a117495cd799dbe3cff3c542a0b31bd1 +size 165460582 diff --git a/data/molecular-dynamics/ir_spectra99.csv b/data/molecular-dynamics/ir_spectra99.csv new file mode 100644 index 0000000000000000000000000000000000000000..4c8fc217f125a0ddccc71488e6e1d6a480cebb7b --- /dev/null +++ b/data/molecular-dynamics/ir_spectra99.csv @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:d644cf3891fe92fa5badf826802ccb8b85f5d8bae4e45ed012ab921716a997f3 +size 171013996