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|
type(gbsa_parameter),parameter :: gfn1_alpb_methanol = gbsa_parameter ( &
32.70000000_wp, &
32.04000000_wp, &
0.79200000_wp, &
1.72657268_wp, &
0.92836169_wp, &
2.74559954_wp, &
0.00000000_wp, &
0.00000000_wp, &
(/ -0.95008061_wp, -0.09267148_wp, -7.94358074_wp, -18.09927003_wp, -2.46678214_wp, &
-2.54023909_wp, 0.57997190_wp, 1.71429755_wp, 0.34111432_wp, -0.10961343_wp, &
-7.72113272_wp, -1.03737823_wp, -2.13515438_wp, -0.08154529_wp, -2.25243175_wp, &
-2.12834931_wp, -1.55216311_wp, -1.03868407_wp, -1.58921466_wp, -9.30016637_wp, &
-4.84076119_wp, -2.36553124_wp, -3.08221936_wp, -1.20947719_wp, -4.82564748_wp, &
-4.66604405_wp, 9.20917778_wp, -3.08744153_wp, -2.44249062_wp, -0.33760131_wp, &
-3.03678115_wp, -2.17139391_wp, -2.24233499_wp, -1.81850864_wp, -2.14790320_wp, &
-0.79626674_wp, -4.62202053_wp, -11.11190862_wp, -5.41500463_wp, 0.07202413_wp, &
-2.86179219_wp, 0.92768096_wp, -3.38712370_wp, -2.15862476_wp, -0.83543039_wp, &
-2.23622799_wp, -1.90048977_wp, -0.61172903_wp, -3.97663055_wp, -1.90645570_wp, &
-1.94634953_wp, -2.03008235_wp, -2.55701735_wp, -0.95590770_wp, -2.08423635_wp, &
-5.92742530_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, -2.64590086_wp, -3.60563245_wp, 2.74206886_wp, -0.63145557_wp, &
-1.34520518_wp, -1.28437205_wp, -0.81254030_wp, -1.22148705_wp, -1.13363276_wp, &
-1.96380402_wp, -0.98115579_wp, -0.38697505_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp /), &
(/ 0.71716236_wp, 1.37757562_wp, 0.93006925_wp, 0.67518475_wp, 0.86104781_wp, &
0.69843430_wp, 0.27892079_wp, 0.12429428_wp, 0.51401622_wp, 0.30000000_wp, &
0.30000000_wp, 0.30000000_wp, 1.00408417_wp, 0.79349318_wp, 0.73055280_wp, &
0.59792310_wp, 0.79841429_wp, 0.49511747_wp, 0.30000000_wp, 1.11649910_wp, &
0.30000000_wp, 0.90503047_wp, 1.18110731_wp, 1.04293618_wp, 1.14011599_wp, &
1.09410384_wp, 0.86148983_wp, 1.03718141_wp, 1.02114160_wp, 0.30000000_wp, &
0.90396163_wp, 0.80805946_wp, 0.85630653_wp, 1.02533569_wp, 0.94004032_wp, &
0.30000000_wp, 0.30000000_wp, 1.03513838_wp, 0.30000000_wp, 1.17621776_wp, &
1.04246088_wp, 0.81705653_wp, 1.17962578_wp, 1.04665449_wp, 1.01071054_wp, &
0.91547116_wp, 0.90792530_wp, 0.50430140_wp, 0.89346164_wp, 0.77168097_wp, &
1.05612408_wp, 0.88711023_wp, 1.23618267_wp, 1.01309528_wp, 0.97627245_wp, &
0.52460108_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp, &
0.80000000_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp, &
0.80000000_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp, &
0.80000000_wp, 1.11541788_wp, 1.04215747_wp, 0.84670300_wp, 0.74414330_wp, &
1.02173465_wp, 0.98649037_wp, 0.66559832_wp, 1.08350437_wp, 1.26105054_wp, &
0.61374298_wp, 0.85663736_wp, 0.36802245_wp, 0.80000000_wp, 0.80000000_wp, &
0.80000000_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp, &
0.80000000_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp /), &
(/ 4.21536747_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.25092503_wp, 2.74505650_wp, 1.46355149_wp, -0.30801015_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 3.21382828_wp, &
2.85215478_wp, 2.08586405_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 2.10235367_wp, 2.03381074_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 2.40567409_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp /) )
type(gbsa_parameter),parameter :: gfn2_alpb_methanol = gbsa_parameter ( &
32.70000000_wp, &
32.04000000_wp, &
0.79200000_wp, &
1.66003361_wp, &
1.08058328_wp, &
2.47547456_wp, &
0.00000000_wp, &
0.00000000_wp, &
(/ -1.15883854_wp, -0.08489676_wp, -6.19150578_wp, -17.34818113_wp, -2.16450184_wp, &
-2.41928336_wp, -2.09250314_wp, 0.08009064_wp, 0.09231303_wp, -0.10961343_wp, &
-3.71341215_wp, -1.03737823_wp, -1.84333839_wp, 0.32165527_wp, -1.39958467_wp, &
-1.59264452_wp, -1.16811046_wp, -0.99317649_wp, -3.31190335_wp, -9.07931008_wp, &
-7.46009442_wp, -4.68809582_wp, -5.33324810_wp, -3.46147417_wp, -3.32816812_wp, &
1.08658130_wp, 10.00917344_wp, -1.63541603_wp, -1.74976633_wp, -3.33574171_wp, &
-2.76257240_wp, -1.59630173_wp, -1.89641826_wp, -1.19638371_wp, -1.55115682_wp, &
-1.07629721_wp, -3.36260929_wp, -10.88581368_wp, -8.37014419_wp, -0.08461763_wp, &
-5.86923780_wp, -3.61454676_wp, -3.53195625_wp, -3.66518218_wp, -1.71753606_wp, &
-1.44785600_wp, -1.98342667_wp, -1.95568677_wp, -3.29192109_wp, -1.57241888_wp, &
-1.77179655_wp, -1.86523585_wp, -2.15610833_wp, -0.98122873_wp, -3.57188311_wp, &
-6.16452009_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, -3.04478959_wp, -4.54489752_wp, 4.29067433_wp, -4.17192593_wp, &
-1.64076232_wp, -2.32526625_wp, -0.75662991_wp, -0.90385530_wp, -2.51763493_wp, &
-1.85485514_wp, -0.96014493_wp, -0.59400861_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp /), &
(/ 0.30000000_wp, 1.66734117_wp, 0.30000000_wp, 0.30000000_wp, 0.92476227_wp, &
0.57913331_wp, 0.70841493_wp, 0.30000000_wp, 0.62979186_wp, 0.30000000_wp, &
0.30000000_wp, 0.30000000_wp, 0.68727478_wp, 0.89791803_wp, 0.30000000_wp, &
0.30000000_wp, 0.72026418_wp, 0.11959209_wp, 0.30000000_wp, 1.05739468_wp, &
1.08100951_wp, 1.05255421_wp, 1.19979404_wp, 1.10394208_wp, 1.22055934_wp, &
1.33316412_wp, 1.06388051_wp, 1.13562868_wp, 1.00404400_wp, 0.42063679_wp, &
1.13731433_wp, 0.71952599_wp, 1.12219028_wp, 1.02909322_wp, 0.56687555_wp, &
1.12191212_wp, 0.30000000_wp, 1.00073021_wp, 1.40232008_wp, 0.62162675_wp, &
1.25434250_wp, 0.30000000_wp, 1.32082304_wp, 1.44966217_wp, 1.27758140_wp, &
1.21596161_wp, 1.28170823_wp, 0.60166517_wp, 0.83425879_wp, 0.30000000_wp, &
0.49853397_wp, 0.70709437_wp, 1.45485315_wp, 1.01437992_wp, 0.30000000_wp, &
0.82700576_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp, &
0.80000000_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp, &
0.80000000_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp, &
0.80000000_wp, 1.29507907_wp, 1.13915241_wp, 0.74105172_wp, 1.31265698_wp, &
1.29112147_wp, 1.43939838_wp, 1.16855363_wp, 1.07319850_wp, 0.37117984_wp, &
0.50699717_wp, 0.74663209_wp, 0.38505688_wp, 0.80000000_wp, 0.80000000_wp, &
0.80000000_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp, &
0.80000000_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp /), &
(/ 6.45931259_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00797465_wp, 2.98775273_wp, 1.51391089_wp, 0.51134039_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 2.79185940_wp, &
0.09199181_wp, 1.93913555_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 2.10235367_wp, 2.03381074_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 2.40567409_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp /) )
type(gbsa_parameter),parameter :: gfnff_alpb_methanol = gbsa_parameter ( &
32.70000000_wp, &
32.04000000_wp, &
0.79200000_wp, &
1.73392084_wp, &
0.87271356_wp, &
2.14415416_wp, &
0.00000000_wp, &
0.00000000_wp, &
(/ -1.22731725_wp, -0.05840543_wp, -7.57808005_wp, -20.49635710_wp, -2.43635602_wp, &
-2.31465954_wp, -2.41373084_wp, -0.23687497_wp, 0.18028336_wp, -0.13111834_wp, &
-5.43098318_wp, -2.95494511_wp, -2.19670548_wp, 0.09772361_wp, -1.78650051_wp, &
-1.94820042_wp, -1.43799213_wp, -1.59421888_wp, -1.59957634_wp, -9.98284350_wp, &
-8.63181710_wp, -8.41442400_wp, -5.61938193_wp, -4.84614336_wp, -1.54887725_wp, &
-3.11117655_wp, 16.33304443_wp, -2.62977385_wp, -2.33654934_wp, -3.93508000_wp, &
-2.91886591_wp, -1.84305697_wp, -2.07505554_wp, -1.62140702_wp, -2.03633810_wp, &
-1.25557005_wp, -4.13589213_wp, -12.98871681_wp, -8.34445653_wp, -2.72518965_wp, &
-5.29323223_wp, -3.88773494_wp, 10.29807513_wp, -0.18415248_wp, 0.02202089_wp, &
-2.44646103_wp, -1.97876669_wp, -3.22901909_wp, -3.81630951_wp, -1.59081214_wp, &
-1.99674798_wp, -1.93416946_wp, -2.33169530_wp, -0.93216626_wp, -4.73045545_wp, &
-9.01351891_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, -5.47414131_wp, -4.71227817_wp, 5.31514701_wp, -1.44668437_wp, &
0.78799283_wp, -0.92183349_wp, -0.89248862_wp, -0.86254506_wp, -1.79683542_wp, &
-2.60344037_wp, -1.39843902_wp, -2.18293845_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp /), &
(/ 0.67405487_wp, 1.63951416_wp, 0.30000000_wp, 0.30000000_wp, 1.12641169_wp, &
0.77394235_wp, 0.30000000_wp, 0.30000000_wp, 0.50623044_wp, 1.37846363_wp, &
0.30000000_wp, 1.10256536_wp, 1.04564950_wp, 0.57029573_wp, 0.67003236_wp, &
0.30000000_wp, 0.80000000_wp, 0.30000000_wp, 0.15130042_wp, 0.53017972_wp, &
1.12327610_wp, 1.02991228_wp, 1.22431981_wp, 1.43945290_wp, 1.63822260_wp, &
1.65177181_wp, 1.67152823_wp, 1.24411539_wp, 0.30000000_wp, 0.30000000_wp, &
0.77956292_wp, 0.70148954_wp, 0.72480617_wp, 1.00956254_wp, 1.69126028_wp, &
0.55891299_wp, 0.30000000_wp, 0.30000000_wp, 1.00653144_wp, 0.96100944_wp, &
1.37980820_wp, 1.53570924_wp, 1.68599042_wp, 1.75002342_wp, 1.35770722_wp, &
0.50214036_wp, 1.34206552_wp, 0.30000000_wp, 0.84645239_wp, 0.07451237_wp, &
1.07338707_wp, 0.82397710_wp, 1.10240701_wp, 1.20780830_wp, 0.30000000_wp, &
0.30000000_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp, &
0.80000000_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp, &
0.80000000_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp, &
0.80000000_wp, 1.36104945_wp, 1.34236764_wp, 1.43226124_wp, 1.25763922_wp, &
1.52355750_wp, 1.22721070_wp, 0.55013087_wp, 0.40106340_wp, 0.98653094_wp, &
0.80000000_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp, &
0.80000000_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp, &
0.80000000_wp, 0.80000000_wp, 0.80000000_wp, 0.80000000_wp /), &
(/ 6.53270256_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
3.36555835_wp, 2.99089414_wp, 1.12505368_wp, 0.06233159_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 2.87837522_wp, &
0.64906135_wp, 0.11908382_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 2.10235367_wp, 2.03381074_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 2.40567409_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp, &
0.00000000_wp, 0.00000000_wp, 0.00000000_wp, 0.00000000_wp /) )
|
